CID 125462136

5-bromo-4-chloro-2-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H7BrClNO2S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)N)Br)Cl
InChI
InChI=1S/C7H7BrClNO2S/c1-4-2-6(9)5(8)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKey
VHHPMSSZMALXFQ-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.90695 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.91423 139.2
[M+Na]+ 305.89617 154.1
[M-H]- 281.89967 146.3
[M+NH4]+ 300.94077 160.4
[M+K]+ 321.87011 140.0
[M+H-H2O]+ 265.90421 140.6
[M+HCOO]- 327.90515 152.1
[M+CH3COO]- 341.92080 193.1
[M+Na-2H]- 303.88162 144.7
[M]+ 282.90640 161.0
[M]- 282.90750 161.0
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.