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]+ 264.96410 138.0
[M+Na]+ 286.94604 150.1
[M-H]- 262.94954 144.3
[M+NH4]+ 281.99064 158.1
[M+K]+ 302.91998 137.3
[M+H-H2O]+ 246.95408 137.2
[M+HCOO]- 308.95502 155.8
[M+CH3COO]- 322.97067 193.2
[M+Na-2H]- 284.93149 144.6
[M]+ 263.95627 156.7
[M]- 263.95737 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.