CID 14897528

2-chloro-2-fluoro-2-phenylacetic acid

Structural Information

Molecular Formula
C8H6ClFO2
SMILES
C1=CC=C(C=C1)C(C(=O)O)(F)Cl
InChI
InChI=1S/C8H6ClFO2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H,(H,11,12)
InChIKey
IBEUVZKIKMCNIT-UHFFFAOYSA-N
Compound name
2-chloro-2-fluoro-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.00403 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.011306 132.7
[M+Na]+ 210.993248 141.4
[M-H]- 186.996754 133.9
[M+NH4]+ 206.037853 152.5
[M+K]+ 226.967188 137.7
[M+H-H2O]+ 171.001290 127.9
[M+HCOO]- 233.002231 148.7
[M+CH3COO]- 247.017881 176.5
[M+Na-2H]- 208.978696 139.5
[M]+ 188.00348142 132.4
[M]- 188.00457858 132.4
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

No patent data available for this compound.