CID 83441466

64562-58-9

Structural Information

Molecular Formula
C9H9ClO3
SMILES
CC1=C(C=CC=C1Cl)C(C(=O)O)O
InChI
InChI=1S/C9H9ClO3/c1-5-6(8(11)9(12)13)3-2-4-7(5)10/h2-4,8,11H,1H3,(H,12,13)
InChIKey
PRGHMLBNXPMBFV-UHFFFAOYSA-N
Compound name
2-(3-chloro-2-methylphenyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.02402 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 137.0
[M+Na]+ 223.01324 146.0
[M-H]- 199.01674 138.7
[M+NH4]+ 218.05784 156.1
[M+K]+ 238.98718 142.3
[M+H-H2O]+ 183.02128 133.3
[M+HCOO]- 245.02222 153.1
[M+CH3COO]- 259.03787 179.3
[M+Na-2H]- 220.99869 140.2
[M]+ 200.02347 138.5
[M]- 200.02457 138.5
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

patents stripe