CID 40934

3-((4-fluorophenyl)phenylmethyl)-1h-indole-1-acetic acid

Structural Information

Molecular Formula
C23H18FNO2
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)C3=CN(C4=CC=CC=C43)CC(=O)O
InChI
InChI=1S/C23H18FNO2/c24-18-12-10-17(11-13-18)23(16-6-2-1-3-7-16)20-14-25(15-22(26)27)21-9-5-4-8-19(20)21/h1-14,23H,15H2,(H,26,27)
InChIKey
VNRNQFRKPNMWBO-UHFFFAOYSA-N
Compound name
2-[3-[(4-fluorophenyl)-phenylmethyl]indol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.13217 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13945 185.2
[M+Na]+ 382.12139 193.0
[M-H]- 358.12489 192.3
[M+NH4]+ 377.16599 197.8
[M+K]+ 398.09533 186.0
[M+H-H2O]+ 342.12943 174.8
[M+HCOO]- 404.13037 204.2
[M+CH3COO]- 418.14602 195.2
[M+Na-2H]- 380.10684 186.3
[M]+ 359.13162 185.3
[M]- 359.13272 185.3
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

No patent data available for this compound.