CID 13645222

26206-00-8

Structural Information

Molecular Formula

C₁₆H₁₂FNO

SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H12FNO/c1-10-15(13-4-2-3-5-14(13)18-10)16(19)11-6-8-12(17)9-7-11/h2-9,18H,1H3

InChIKey

YLQSMBXRBZJCHM-UHFFFAOYSA-N

Compound name

(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 253.09029 Da
Monoisotopic Mass: 3.9
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	154.9
[M+Na]+	276.07951	165.4
[M-H]-	252.08301	159.6
[M+NH4]+	271.12411	173.0
[M+K]+	292.05345	159.1
[M+H-H2O]+	236.08755	146.8
[M+HCOO]-	298.08849	176.2
[M+CH3COO]-	312.10414	167.6
[M+Na-2H]-	274.06496	158.8
[M]+	253.08974	154.6
[M]-	253.09084	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe