CID 907138

858752-72-4

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
COC1=CC=CC2=C1C(=CN2)C(=O)CCl
InChI
InChI=1S/C11H10ClNO2/c1-15-10-4-2-3-8-11(10)7(6-13-8)9(14)5-12/h2-4,6,13H,5H2,1H3
InChIKey
JUCQIGMGKMINCW-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-methoxy-1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04001 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.047286 145.0
[M+Na]+ 246.029228 156.1
[M-H]- 222.032734 147.5
[M+NH4]+ 241.073833 165.4
[M+K]+ 262.003168 150.9
[M+H-H2O]+ 206.037270 139.7
[M+HCOO]- 268.038211 163.2
[M+CH3COO]- 282.053861 184.6
[M+Na-2H]- 244.014676 150.2
[M]+ 223.03946142 149.5
[M]- 223.04055858 149.5
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

No patent data available for this compound.