CID 22759539

1824196-00-0

Structural Information

Molecular Formula
C8H7ClO3
SMILES
CC1=C(C=CC(=C1O)C(=O)O)Cl
InChI
InChI=1S/C8H7ClO3/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKey
CGJHIFIENPTILN-UHFFFAOYSA-N
Compound name
4-chloro-2-hydroxy-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.00838 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01566 133.4
[M+Na]+ 208.99760 146.7
[M+NH4]+ 204.04220 141.2
[M+K]+ 224.97154 141.6
[M-H]- 185.00110 134.0
[M+Na-2H]- 206.98305 138.9
[M]+ 186.00783 135.6
[M]- 186.00893 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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