CID 723221

38693-08-2

Structural Information

Molecular Formula
C11H10ClNO
SMILES
CC1=C(C2=CC=CC=C2N1)C(=O)CCl
InChI
InChI=1S/C11H10ClNO/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3
InChIKey
GEACTTPEMXZJFB-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

207.04509 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.052366 142.1
[M+Na]+ 230.034308 153.3
[M-H]- 206.037814 144.6
[M+NH4]+ 225.078913 163.2
[M+K]+ 246.008248 147.6
[M+H-H2O]+ 190.042350 137.0
[M+HCOO]- 252.043291 160.1
[M+CH3COO]- 266.058941 182.6
[M+Na-2H]- 228.019756 147.2
[M]+ 207.04454142 145.2
[M]- 207.04563858 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe