CID 2774436

176204-51-6

Structural Information

Molecular Formula
C17H14FNO2
SMILES
C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)CC(=O)O
InChI
InChI=1S/C17H14FNO2/c18-14-7-5-12(6-8-14)10-19-11-13(9-17(20)21)15-3-1-2-4-16(15)19/h1-8,11H,9-10H2,(H,20,21)
InChIKey
MSECUWYFWKAGLD-UHFFFAOYSA-N
Compound name
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

21
Patents

283.10086 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10814 164.8
[M+Na]+ 306.09008 178.9
[M+NH4]+ 301.13468 172.4
[M+K]+ 322.06402 173.0
[M-H]- 282.09358 167.0
[M+Na-2H]- 304.07553 172.0
[M]+ 283.10031 167.4
[M]- 283.10141 167.4
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