CID 3555398

763125-98-0

Structural Information

Molecular Formula
C11H9F3N4OS2
SMILES
C1=CC(=CC=C1C(F)(F)F)NC(=O)CSC2=NN=C(S2)N
InChI
InChI=1S/C11H9F3N4OS2/c12-11(13,14)6-1-3-7(4-2-6)16-8(19)5-20-10-18-17-9(15)21-10/h1-4H,5H2,(H2,15,17)(H,16,19)
InChIKey
YYDWIRIIKMIGRM-UHFFFAOYSA-N
Compound name
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.017 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02428 164.7
[M+Na]+ 357.00622 173.7
[M-H]- 333.00972 164.7
[M+NH4]+ 352.05082 177.7
[M+K]+ 372.98016 167.0
[M+H-H2O]+ 317.01426 154.8
[M+HCOO]- 379.01520 173.8
[M+CH3COO]- 393.03085 207.0
[M+Na-2H]- 354.99167 164.4
[M]+ 334.01645 162.6
[M]- 334.01755 162.6
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.