CID 84787710

2-(2,6-dichloro-4-hydroxyphenyl)acetic acid

Structural Information

Molecular Formula
C8H6Cl2O3
SMILES
C1=C(C=C(C(=C1Cl)CC(=O)O)Cl)O
InChI
InChI=1S/C8H6Cl2O3/c9-6-1-4(11)2-7(10)5(6)3-8(12)13/h1-2,11H,3H2,(H,12,13)
InChIKey
JVUHDUIPTCPANS-UHFFFAOYSA-N
Compound name
2-(2,6-dichloro-4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.9694 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97668 138.9
[M+Na]+ 242.95862 152.6
[M+NH4]+ 238.00322 146.8
[M+K]+ 258.93256 146.8
[M-H]- 218.96212 139.3
[M+Na-2H]- 240.94407 144.4
[M]+ 219.96885 141.4
[M]- 219.96995 141.4
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