CID 81058

2,6-dichlorophenylacetic acid

Structural Information

Molecular Formula
C8H6Cl2O2
SMILES
C1=CC(=C(C(=C1)Cl)CC(=O)O)Cl
InChI
InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
SFAILOOQFZNOAU-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

809
Patents

203.97449 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.981766 134.6
[M+Na]+ 226.963708 145.1
[M-H]- 202.967214 137.0
[M+NH4]+ 222.008313 154.7
[M+K]+ 242.937648 139.9
[M+H-H2O]+ 186.971750 131.6
[M+HCOO]- 248.972691 148.1
[M+CH3COO]- 262.988341 180.6
[M+Na-2H]- 224.949156 139.3
[M]+ 203.97394142 137.7
[M]- 203.97503858 137.7
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