CID 110078

Benzenesulfonic acid, 6-amino-3-chloro-2-methyl-

Structural Information

Molecular Formula
C7H8ClNO3S
SMILES
CC1=C(C=CC(=C1S(=O)(=O)O)N)Cl
InChI
InChI=1S/C7H8ClNO3S/c1-4-5(8)2-3-6(9)7(4)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)
InChIKey
CIVBLPACFTXHMR-UHFFFAOYSA-N
Compound name
6-amino-3-chloro-2-methylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

220.99135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.998626 140.5
[M+Na]+ 243.980568 151.3
[M-H]- 219.984074 143.7
[M+NH4]+ 239.025173 159.6
[M+K]+ 259.954508 146.4
[M+H-H2O]+ 203.988610 136.8
[M+HCOO]- 265.989551 154.0
[M+CH3COO]- 280.005201 183.0
[M+Na-2H]- 241.966016 143.7
[M]+ 220.99080142 143.5
[M]- 220.99189858 143.5
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