CID 716281

347323-97-1

Structural Information

Molecular Formula

C₁₆H₁₂FNO

SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)F)C=O

InChI

InChI=1S/C16H12FNO/c17-14-5-3-4-12(8-14)9-18-10-13(11-19)15-6-1-2-7-16(15)18/h1-8,10-11H,9H2

InChIKey

LOQNMLHIQHBGJV-UHFFFAOYSA-N

Compound name

1-[(3-fluorophenyl)methyl]indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 1
Patents: 253.09029 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.09757	154.5
[M+Na]+	276.07951	165.8
[M-H]-	252.08301	160.5
[M+NH4]+	271.12411	173.4
[M+K]+	292.05345	159.9
[M+H-H2O]+	236.08755	145.9
[M+HCOO]-	298.08849	178.3
[M+CH3COO]-	312.10414	168.0
[M+Na-2H]-	274.06496	160.0
[M]+	253.08974	156.6
[M]-	253.09084	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe