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

0
Patents

219.9694 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97668 136.8
[M+Na]+ 242.95862 147.7
[M-H]- 218.96212 138.2
[M+NH4]+ 238.00322 155.8
[M+K]+ 258.93256 142.3
[M+H-H2O]+ 202.96666 134.3
[M+HCOO]- 264.96760 149.2
[M+CH3COO]- 278.98325 181.4
[M+Na-2H]- 240.94407 140.4
[M]+ 219.96885 139.9
[M]- 219.96995 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

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Patent stripe

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