CID 86249519

2-(2,6-dichloro-3-hydroxyphenyl)acetic acid

Structural Information

Molecular Formula
C8H6Cl2O3
SMILES
C1=CC(=C(C(=C1O)Cl)CC(=O)O)Cl
InChI
InChI=1S/C8H6Cl2O3/c9-5-1-2-6(11)8(10)4(5)3-7(12)13/h1-2,11H,3H2,(H,12,13)
InChIKey
MOXUPFSOUPMFMB-UHFFFAOYSA-N
Compound name
2-(2,6-dichloro-3-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.9694 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.976676 136.8
[M+Na]+ 242.958618 147.7
[M-H]- 218.962124 138.2
[M+NH4]+ 238.003223 155.8
[M+K]+ 258.932558 142.3
[M+H-H2O]+ 202.966660 134.3
[M+HCOO]- 264.967601 149.2
[M+CH3COO]- 278.983251 181.4
[M+Na-2H]- 240.944066 140.4
[M]+ 219.96885142 139.9
[M]- 219.96994858 139.9
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