CID 43550897

N-(4-amino-2-bromophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H9BrN2O2S
SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)N)Br
InChI
InChI=1S/C7H9BrN2O2S/c1-13(11,12)10-7-3-2-5(9)4-6(7)8/h2-4,10H,9H2,1H3
InChIKey
UPFULSAWOMTSII-UHFFFAOYSA-N
Compound name
N-(4-amino-2-bromophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.95682 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.964096 138.0
[M+Na]+ 286.946038 150.1
[M-H]- 262.949544 144.3
[M+NH4]+ 281.990643 158.1
[M+K]+ 302.919978 137.3
[M+H-H2O]+ 246.954080 137.2
[M+HCOO]- 308.955021 155.8
[M+CH3COO]- 322.970671 193.2
[M+Na-2H]- 284.931486 144.6
[M]+ 263.95627142 156.7
[M]- 263.95736858 156.7
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.