CID 10976112

41192-33-0

Structural Information

Molecular Formula
C9H8ClNO
SMILES
CN1C(=O)CC2=C1C=CC(=C2)Cl
InChI
InChI=1S/C9H8ClNO/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3
InChIKey
ONTWHPOGWLOYFI-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

181.02943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.036706 134.8
[M+Na]+ 204.018648 146.4
[M-H]- 180.022154 138.5
[M+NH4]+ 199.063253 157.8
[M+K]+ 219.992588 142.0
[M+H-H2O]+ 164.026690 129.9
[M+HCOO]- 226.027631 153.0
[M+CH3COO]- 240.043281 180.1
[M+Na-2H]- 202.004096 140.0
[M]+ 181.02888142 137.0
[M]- 181.02997858 137.0
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