CID 177799572

2-(2-chloro-3-formylphenoxy)acetic acid

Structural Information

Molecular Formula
C9H7ClO4
SMILES
C1=CC(=C(C(=C1)OCC(=O)O)Cl)C=O
InChI
InChI=1S/C9H7ClO4/c10-9-6(4-11)2-1-3-7(9)14-5-8(12)13/h1-4H,5H2,(H,12,13)
InChIKey
AXZBVNSCESQRDZ-UHFFFAOYSA-N
Compound name
2-(2-chloro-3-formylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.00328 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01056 138.1
[M+Na]+ 236.99250 147.9
[M-H]- 212.99600 141.0
[M+NH4]+ 232.03710 157.2
[M+K]+ 252.96644 144.6
[M+H-H2O]+ 197.00054 133.7
[M+HCOO]- 259.00148 157.0
[M+CH3COO]- 273.01713 182.1
[M+Na-2H]- 234.97795 143.0
[M]+ 214.00273 142.7
[M]- 214.00383 142.7
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.