CID 117289536

1891135-88-8

Structural Information

Molecular Formula
C8H5ClO4
SMILES
C1=CC(=C(C=C1Cl)O)C(=O)C(=O)O
InChI
InChI=1S/C8H5ClO4/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,10H,(H,12,13)
InChIKey
AEDTYDBFQMPGDL-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-hydroxyphenyl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.98764 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99492 133.6
[M+Na]+ 222.97686 143.2
[M-H]- 198.98036 135.5
[M+NH4]+ 218.02146 152.5
[M+K]+ 238.95080 139.7
[M+H-H2O]+ 182.98490 130.0
[M+HCOO]- 244.98584 150.5
[M+CH3COO]- 259.00149 177.6
[M+Na-2H]- 220.96231 137.4
[M]+ 199.98709 135.5
[M]- 199.98819 135.5
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

No patent data available for this compound.