CID 15729282

2-chloro-1-(4-methyl-1h-indol-3-yl)ethan-1-one

Structural Information

Molecular Formula
C11H10ClNO
SMILES
CC1=C2C(=CC=C1)NC=C2C(=O)CCl
InChI
InChI=1S/C11H10ClNO/c1-7-3-2-4-9-11(7)8(6-13-9)10(14)5-12/h2-4,6,13H,5H2,1H3
InChIKey
JDVHIVMJZFUSJI-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-methyl-1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

207.04509 Da
Monoisotopic Mass

2.7
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

No literature data available for this compound.

Patent stripe

patents stripe