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]+ 215.010556 137.1
[M+Na]+ 236.992498 148.3
[M-H]- 212.996004 139.4
[M+NH4]+ 232.037103 156.1
[M+K]+ 252.966438 144.3
[M+H-H2O]+ 197.000540 133.7
[M+HCOO]- 259.001481 154.5
[M+CH3COO]- 273.017131 182.2
[M+Na-2H]- 234.977946 140.3
[M]+ 214.00273142 140.7
[M]- 214.00382858 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.