CID 130852113

2-chloro-5-formyl-4-hydroxy-3-methylbenzoic acid

Structural Information

Molecular Formula
C9H7ClO4
SMILES
CC1=C(C(=CC(=C1Cl)C(=O)O)C=O)O
InChI
InChI=1S/C9H7ClO4/c1-4-7(10)6(9(13)14)2-5(3-11)8(4)12/h2-3,12H,1H3,(H,13,14)
InChIKey
WZJZCZWVPHWKDH-UHFFFAOYSA-N
Compound name
2-chloro-5-formyl-4-hydroxy-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.00328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01056 137.1
[M+Na]+ 236.99250 148.3
[M-H]- 212.99600 139.4
[M+NH4]+ 232.03710 156.1
[M+K]+ 252.96644 144.3
[M+H-H2O]+ 197.00054 133.7
[M+HCOO]- 259.00148 154.5
[M+CH3COO]- 273.01713 182.2
[M+Na-2H]- 234.97795 140.3
[M]+ 214.00273 140.7
[M]- 214.00383 140.7
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.