CID 4160234

26211-80-3

Structural Information

Molecular Formula

C₁₆H₁₂ClNO

SMILES

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

InChI

InChI=1S/C16H12ClNO/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

QEUVBMBDQDXWCX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 269.06073 Da
Monoisotopic Mass: 4.4
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]+	270.068006	159.3
[M+Na]+	292.049948	170.6
[M-H]-	268.053454	165.1
[M+NH4]+	287.094553	177.7
[M+K]+	308.023888	163.1
[M+H-H2O]+	252.057990	152.6
[M+HCOO]-	314.058931	177.0
[M+CH3COO]-	328.074581	172.2
[M+Na-2H]-	290.035396	163.3
[M]+	269.06018142	162.3
[M]-	269.06127858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe