CID 26696

(4-chloro-2-formylphenoxy)acetic acid

Structural Information

Molecular Formula
C9H7ClO4
SMILES
C1=CC(=C(C=C1Cl)C=O)OCC(=O)O
InChI
InChI=1S/C9H7ClO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-4H,5H2,(H,12,13)
InChIKey
VXVIICNFYDEOJG-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-formylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

397
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

literature stripe

Patent stripe

patents stripe