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
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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 151.5
[M+Na]+ 277.94158 163.9
[M+NH4]+ 272.98618 158.9
[M+K]+ 293.91552 156.9
[M-H]- 253.94508 151.9
[M+Na-2H]- 275.92703 155.6
[M]+ 254.95181 154.3
[M]- 254.95291 154.3
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.