CID 3832978

3-amino-n-{4-[(difluoromethyl)sulfanyl]phenyl}benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H12F2N2O2S2
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)SC(F)F)N
InChI
InChI=1S/C13H12F2N2O2S2/c14-13(15)20-11-6-4-10(5-7-11)17-21(18,19)12-3-1-2-9(16)8-12/h1-8,13,17H,16H2
InChIKey
CYPISBFZHWKBGV-UHFFFAOYSA-N
Compound name
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

330.03082 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03810 166.5
[M+Na]+ 353.02004 173.9
[M-H]- 329.02354 169.4
[M+NH4]+ 348.06464 179.7
[M+K]+ 368.99398 166.8
[M+H-H2O]+ 313.02808 157.2
[M+HCOO]- 375.02902 177.5
[M+CH3COO]- 389.04467 207.9
[M+Na-2H]- 351.00549 168.1
[M]+ 330.03027 164.7
[M]- 330.03137 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.