CID 110077

68368-37-6

Structural Information

Molecular Formula
C7H7Cl2NO3S
SMILES
CC1=CC(=C(C(=C1Cl)N)S(=O)(=O)O)Cl
InChI
InChI=1S/C7H7Cl2NO3S/c1-3-2-4(8)7(14(11,12)13)6(10)5(3)9/h2H,10H2,1H3,(H,11,12,13)
InChIKey
MLEABORKMIGILK-UHFFFAOYSA-N
Compound name
2-amino-3,6-dichloro-4-methylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.95236 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95964 145.5
[M+Na]+ 277.94158 157.2
[M-H]- 253.94508 148.6
[M+NH4]+ 272.98618 163.9
[M+K]+ 293.91552 151.3
[M+H-H2O]+ 237.94962 143.1
[M+HCOO]- 299.95056 154.1
[M+CH3COO]- 313.96621 189.0
[M+Na-2H]- 275.92703 147.5
[M]+ 254.95181 149.8
[M]- 254.95291 149.8
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.