CID 152961

28755-03-5

Structural Information

Molecular Formula
C10H8ClNO
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)CCl
InChI
InChI=1S/C10H8ClNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
InChIKey
LLZQFAXTCYDVTR-UHFFFAOYSA-N
Compound name
2-chloro-1-(1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

228
Patents

193.02943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03671 137.7
[M+Na]+ 216.01865 148.4
[M-H]- 192.02215 140.0
[M+NH4]+ 211.06325 159.0
[M+K]+ 231.99259 142.8
[M+H-H2O]+ 176.02669 132.4
[M+HCOO]- 238.02763 156.0
[M+CH3COO]- 252.04328 151.4
[M+Na-2H]- 214.00410 144.0
[M]+ 193.02888 140.0
[M]- 193.02998 140.0
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