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

7
Patents

207.04509 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05237 142.1
[M+Na]+ 230.03431 153.3
[M-H]- 206.03781 144.6
[M+NH4]+ 225.07891 163.2
[M+K]+ 246.00825 147.6
[M+H-H2O]+ 190.04235 137.0
[M+HCOO]- 252.04329 160.1
[M+CH3COO]- 266.05894 182.6
[M+Na-2H]- 228.01976 147.2
[M]+ 207.04454 145.2
[M]- 207.04564 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