CID 13645222

2-methyl-3-(4'-fluorobenzoyl)indole

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09757 156.8
[M+Na]+ 276.07951 171.7
[M+NH4]+ 271.12411 165.2
[M+K]+ 292.05345 165.4
[M-H]- 252.08301 159.6
[M+Na-2H]- 274.06496 164.8
[M]+ 253.08974 159.7
[M]- 253.09084 159.7
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

patents stripe