CID 3054402

Brn 2857864

Structural Information

Molecular Formula
C15H14FNO2
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)NCC(=O)O
InChI
InChI=1S/C15H14FNO2/c16-13-8-6-12(7-9-13)15(17-10-14(18)19)11-4-2-1-3-5-11/h1-9,15,17H,10H2,(H,18,19)
InChIKey
BDAKANVSWOYOHW-UHFFFAOYSA-N
Compound name
2-[[(4-fluorophenyl)-phenylmethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.10086 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10814 157.3
[M+Na]+ 282.09008 162.8
[M-H]- 258.09358 161.1
[M+NH4]+ 277.13468 172.5
[M+K]+ 298.06402 158.7
[M+H-H2O]+ 242.09812 148.8
[M+HCOO]- 304.09906 178.4
[M+CH3COO]- 318.11471 196.2
[M+Na-2H]- 280.07553 161.0
[M]+ 259.10031 154.4
[M]- 259.10141 154.4
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