CID 54890026

2-(2-fluorophenyl)-2-(phenylamino)acetic acid

Structural Information

Molecular Formula
C14H12FNO2
SMILES
C1=CC=C(C=C1)NC(C2=CC=CC=C2F)C(=O)O
InChI
InChI=1S/C14H12FNO2/c15-12-9-5-4-8-11(12)13(14(17)18)16-10-6-2-1-3-7-10/h1-9,13,16H,(H,17,18)
InChIKey
ACPNBZSGLDLKAZ-UHFFFAOYSA-N
Compound name
2-anilino-2-(2-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

245.0852 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09248 152.7
[M+Na]+ 268.07442 158.6
[M-H]- 244.07792 156.7
[M+NH4]+ 263.11902 168.4
[M+K]+ 284.04836 154.8
[M+H-H2O]+ 228.08246 144.4
[M+HCOO]- 290.08340 174.2
[M+CH3COO]- 304.09905 193.2
[M+Na-2H]- 266.05987 156.9
[M]+ 245.08465 149.4
[M]- 245.08575 149.4
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

patents stripe