CID 22038330

2-fluoro-2-(4-fluorophenyl)acetic acid

Structural Information

Molecular Formula
C8H6F2O2
SMILES
C1=CC(=CC=C1C(C(=O)O)F)F
InChI
InChI=1S/C8H6F2O2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,(H,11,12)
InChIKey
ROBMLOVUFQYSCR-UHFFFAOYSA-N
Compound name
2-fluoro-2-(4-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

172.03358 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04086 135.1
[M+Na]+ 195.02280 145.2
[M+NH4]+ 190.06740 141.6
[M+K]+ 210.99674 140.5
[M-H]- 171.02630 133.1
[M+Na-2H]- 193.00825 139.7
[M]+ 172.03303 135.6
[M]- 172.03413 135.6
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