CID 1810509

61258-72-8

Structural Information

Molecular Formula
C9H6ClNO2
SMILES
CC1=C2C(=C(C=C1)Cl)C(=O)C(=O)N2
InChI
InChI=1S/C9H6ClNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
InChIKey
MWCJCUFHPFXQLS-UHFFFAOYSA-N
Compound name
4-chloro-7-methyl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

39
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

literature stripe

Patent stripe

patents stripe