CID 39870104

5-amino-n-(4-bromophenyl)-2-fluorobenzene-1-sulfonamide

Structural Information

Molecular Formula
C12H10BrFN2O2S
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)N)F)Br
InChI
InChI=1S/C12H10BrFN2O2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-7-9(15)3-6-11(12)14/h1-7,16H,15H2
InChIKey
GGYSBLFCCKKRED-UHFFFAOYSA-N
Compound name
5-amino-N-(4-bromophenyl)-2-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

343.96304 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.97032 158.0
[M+Na]+ 366.95226 170.0
[M-H]- 342.95576 165.9
[M+NH4]+ 361.99686 174.9
[M+K]+ 382.92620 156.0
[M+H-H2O]+ 326.96030 155.6
[M+HCOO]- 388.96124 174.9
[M+CH3COO]- 402.97689 207.0
[M+Na-2H]- 364.93771 163.7
[M]+ 343.96249 175.6
[M]- 343.96359 175.6
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

patents stripe