CID 162345642

Ns00132729

Structural Information

Molecular Formula
C7H7ClO5S
SMILES
COC1=C(C=C(C(=C1)O)Cl)S(=O)(=O)O
InChI
InChI=1S/C7H7ClO5S/c1-13-6-3-5(9)4(8)2-7(6)14(10,11)12/h2-3,9H,1H3,(H,10,11,12)
InChIKey
YLUOLVHPMLDBAU-UHFFFAOYSA-N
Compound name
5-chloro-4-hydroxy-2-methoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.97028 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.977556 140.9
[M+Na]+ 260.959498 151.8
[M-H]- 236.963004 143.4
[M+NH4]+ 256.004103 159.1
[M+K]+ 276.933438 147.7
[M+H-H2O]+ 220.967540 137.5
[M+HCOO]- 282.968481 153.2
[M+CH3COO]- 296.984131 180.5
[M+Na-2H]- 258.944946 144.9
[M]+ 237.96973142 146.8
[M]- 237.97082858 146.8
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.