CID 3725287

380349-00-8

Structural Information

Molecular Formula
C13H12F3N3O2S
SMILES
C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N)N)C(F)(F)F
InChI
InChI=1S/C13H12F3N3O2S/c14-13(15,16)8-2-1-3-9(6-8)19-22(20,21)10-4-5-11(17)12(18)7-10/h1-7,19H,17-18H2
InChIKey
GYPWNSMTTFOWFB-UHFFFAOYSA-N
Compound name
3,4-diamino-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

331.06024 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.06752 167.9
[M+Na]+ 354.04946 176.2
[M-H]- 330.05296 170.1
[M+NH4]+ 349.09406 180.7
[M+K]+ 370.02340 170.1
[M+H-H2O]+ 314.05750 157.8
[M+HCOO]- 376.05844 183.3
[M+CH3COO]- 390.07409 211.2
[M+Na-2H]- 352.03491 171.1
[M]+ 331.05969 162.7
[M]- 331.06079 162.7
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

patents stripe