CID 21405816

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

Structural Information

Molecular Formula
C14H11FO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C(=O)O)F
InChI
InChI=1S/C14H11FO2/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
InChIKey
CHTVGRMQNXPBFQ-UHFFFAOYSA-N
Compound name
2-fluoro-2-(4-phenylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

230.07431 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08159 148.7
[M+Na]+ 253.06353 155.5
[M-H]- 229.06703 152.8
[M+NH4]+ 248.10813 165.4
[M+K]+ 269.03747 151.7
[M+H-H2O]+ 213.07157 140.8
[M+HCOO]- 275.07251 169.1
[M+CH3COO]- 289.08816 188.2
[M+Na-2H]- 251.04898 152.5
[M]+ 230.07376 146.1
[M]- 230.07486 146.1
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