CID 62956345

3-amino-2-bromo-5-chlorobenzene-1-sulfonamide

Structural Information

Molecular Formula
C6H6BrClN2O2S
SMILES
C1=C(C=C(C(=C1N)Br)S(=O)(=O)N)Cl
InChI
InChI=1S/C6H6BrClN2O2S/c7-6-4(9)1-3(8)2-5(6)13(10,11)12/h1-2H,9H2,(H2,10,11,12)
InChIKey
NTZGJJSOSFBJAJ-UHFFFAOYSA-N
Compound name
3-amino-2-bromo-5-chlorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.9022 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.90948 139.7
[M+Na]+ 306.89142 153.8
[M-H]- 282.89492 146.0
[M+NH4]+ 301.93602 159.9
[M+K]+ 322.86536 139.0
[M+H-H2O]+ 266.89946 140.2
[M+HCOO]- 328.90040 152.9
[M+CH3COO]- 342.91605 194.5
[M+Na-2H]- 304.87687 144.9
[M]+ 283.90165 159.2
[M]- 283.90275 159.2
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.