CID 102649

1578-63-8

Structural Information

Molecular Formula
C8H7FO2
SMILES
C1=CC=C(C=C1)C(C(=O)O)F
InChI
InChI=1S/C8H7FO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
InChIKey
ATPPNMLQNZHDOG-UHFFFAOYSA-N
Compound name
2-fluoro-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

811
Patents

154.04301 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05029 128.1
[M+Na]+ 177.03223 135.3
[M-H]- 153.03573 129.2
[M+NH4]+ 172.07683 148.1
[M+K]+ 193.00617 133.7
[M+H-H2O]+ 137.04027 122.0
[M+HCOO]- 199.04121 149.1
[M+CH3COO]- 213.05686 173.2
[M+Na-2H]- 175.01768 133.3
[M]+ 154.04246 125.5
[M]- 154.04356 125.5
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