CID 3267357

303090-96-2

Structural Information

Molecular Formula
C21H18Cl2F6N2O2S2
SMILES
C1=CC(=C(C=C1C(F)(F)F)NC(=O)CSCCCSCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C21H18Cl2F6N2O2S2/c22-14-4-2-12(20(24,25)26)8-16(14)30-18(32)10-34-6-1-7-35-11-19(33)31-17-9-13(21(27,28)29)3-5-15(17)23/h2-5,8-9H,1,6-7,10-11H2,(H,30,32)(H,31,33)
InChIKey
FVPYOGDVMYOOQU-UHFFFAOYSA-N
Compound name
2-[3-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylpropylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.0091 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.01638 212.1
[M+Na]+ 600.99832 218.1
[M-H]- 577.00182 209.5
[M+NH4]+ 596.04292 217.5
[M+K]+ 616.97226 207.8
[M+H-H2O]+ 561.00636 200.8
[M+HCOO]- 623.00730 206.2
[M+CH3COO]- 637.02295 249.2
[M+Na-2H]- 598.98377 208.5
[M]+ 578.00855 212.8
[M]- 578.00965 212.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.