CID 20109676

1-[(2-fluorophenyl)methyl]-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C16H12FNO2
SMILES
C1=CC=C2C(=C1)C=C(N2CC3=CC=CC=C3F)C(=O)O
InChI
InChI=1S/C16H12FNO2/c17-13-7-3-1-6-12(13)10-18-14-8-4-2-5-11(14)9-15(18)16(19)20/h1-9H,10H2,(H,19,20)
InChIKey
XYDOYFJXQVZCRB-UHFFFAOYSA-N
Compound name
1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0852 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09248 158.2
[M+Na]+ 292.07442 168.5
[M-H]- 268.07792 162.9
[M+NH4]+ 287.11902 175.5
[M+K]+ 308.04836 162.9
[M+H-H2O]+ 252.08246 149.9
[M+HCOO]- 314.08340 179.6
[M+CH3COO]- 328.09905 170.7
[M+Na-2H]- 290.05987 162.1
[M]+ 269.08465 159.3
[M]- 269.08575 159.3
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.