CID 480294

2-[[2-carbamoyl-6-(trifluoromethyl)phenyl]disulfanyl]-3-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C16H10F6N2O2S2
SMILES
C1=CC(=C(C(=C1)C(F)(F)F)SSC2=C(C=CC=C2C(F)(F)F)C(=O)N)C(=O)N
InChI
InChI=1S/C16H10F6N2O2S2/c17-15(18,19)9-5-1-3-7(13(23)25)11(9)27-28-12-8(14(24)26)4-2-6-10(12)16(20,21)22/h1-6H,(H2,23,25)(H2,24,26)
InChIKey
XAPMAWANQCLQMN-UHFFFAOYSA-N
Compound name
2-[[2-carbamoyl-6-(trifluoromethyl)phenyl]disulfanyl]-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

440.0088 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.01608 187.5
[M+Na]+ 462.99802 194.8
[M-H]- 439.00152 184.5
[M+NH4]+ 458.04262 195.9
[M+K]+ 478.97196 186.6
[M+H-H2O]+ 423.00606 174.6
[M+HCOO]- 485.00700 190.1
[M+CH3COO]- 499.02265 229.0
[M+Na-2H]- 460.98347 183.9
[M]+ 440.00825 180.7
[M]- 440.00935 180.7
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.