CID 71756204

7-chloro-4-methyl-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C9H6ClNO2
SMILES
CC1=C2C(=C(C=C1)Cl)NC(=O)C2=O
InChI
InChI=1S/C9H6ClNO2/c1-4-2-3-5(10)7-6(4)8(12)9(13)11-7/h2-3H,1H3,(H,11,12,13)
InChIKey
ZEUWWCOQJNSGCH-UHFFFAOYSA-N
Compound name
7-chloro-4-methyl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.00871 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.015986 136.7
[M+Na]+ 217.997928 149.1
[M-H]- 194.001434 139.6
[M+NH4]+ 213.042533 158.7
[M+K]+ 233.971868 143.7
[M+H-H2O]+ 178.005970 132.5
[M+HCOO]- 240.006911 153.9
[M+CH3COO]- 254.022561 179.9
[M+Na-2H]- 215.983376 140.9
[M]+ 195.00816142 138.3
[M]- 195.00925858 138.3
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