CID 2734600

2-(2,3-dichlorophenyl)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

288
Patents

203.97449 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.98177 134.6
[M+Na]+ 226.96371 145.1
[M-H]- 202.96721 137.0
[M+NH4]+ 222.00831 154.7
[M+K]+ 242.93765 139.9
[M+H-H2O]+ 186.97175 131.6
[M+HCOO]- 248.97269 148.1
[M+CH3COO]- 262.98834 180.6
[M+Na-2H]- 224.94916 139.3
[M]+ 203.97394 137.7
[M]- 203.97504 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