CID 16748825

7417-89-2

Structural Information

Molecular Formula
C8H7ClO4
SMILES
C1=CC(=C(C=C1Cl)O)OCC(=O)O
InChI
InChI=1S/C8H7ClO4/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKey
IJMOEYYLLVJVAS-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-hydroxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

202.00328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01056 135.3
[M+Na]+ 224.99250 144.7
[M-H]- 200.99600 136.9
[M+NH4]+ 220.03710 154.2
[M+K]+ 240.96644 141.4
[M+H-H2O]+ 185.00054 131.3
[M+HCOO]- 247.00148 152.8
[M+CH3COO]- 261.01713 177.5
[M+Na-2H]- 222.97795 140.2
[M]+ 202.00273 138.4
[M]- 202.00383 138.4
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