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]+ 196.01599 136.1
[M+Na]+ 217.99793 149.8
[M+NH4]+ 213.04253 144.7
[M+K]+ 233.97187 145.1
[M-H]- 194.00143 136.9
[M+Na-2H]- 215.98338 140.6
[M]+ 195.00816 138.4
[M]- 195.00926 138.4
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