CID 3667997

5-amino-n-{4-[(difluoromethyl)sulfanyl]phenyl}-2-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C14H14F2N2O2S2
SMILES
CC1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=C(C=C2)SC(F)F
InChI
InChI=1S/C14H14F2N2O2S2/c1-9-2-3-10(17)8-13(9)22(19,20)18-11-4-6-12(7-5-11)21-14(15)16/h2-8,14,18H,17H2,1H3
InChIKey
NBDUVVLULMBYNZ-UHFFFAOYSA-N
Compound name
5-amino-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.04648 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05376 170.8
[M+Na]+ 367.03570 178.5
[M-H]- 343.03920 173.9
[M+NH4]+ 362.08030 183.7
[M+K]+ 383.00964 171.2
[M+H-H2O]+ 327.04374 161.4
[M+HCOO]- 389.04468 181.4
[M+CH3COO]- 403.06033 212.0
[M+Na-2H]- 365.02115 171.3
[M]+ 344.04593 169.7
[M]- 344.04703 169.7
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.