CID 94788

2-(2,5-dichlorophenyl)acetic acid

Structural Information

Molecular Formula
C8H6Cl2O2
SMILES
C1=CC(=C(C=C1Cl)CC(=O)O)Cl
InChI
InChI=1S/C8H6Cl2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
GWTUGCOXTFFBMM-UHFFFAOYSA-N
Compound name
2-(2,5-dichlorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
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

No literature data available for this compound.

Patent stripe

patents stripe