CID 4513067

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

Structural Information

Molecular Formula
C9H6ClNO2
SMILES
CC1=C(C=CC2=C1NC(=O)C2=O)Cl
InChI
InChI=1S/C9H6ClNO2/c1-4-6(10)3-2-5-7(4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
InChIKey
SFWRUGVSPIELCW-UHFFFAOYSA-N
Compound name
6-chloro-7-methyl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

70
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 136.7
[M+Na]+ 217.99793 149.1
[M-H]- 194.00143 139.6
[M+NH4]+ 213.04253 158.7
[M+K]+ 233.97187 143.7
[M+H-H2O]+ 178.00597 132.5
[M+HCOO]- 240.00691 153.9
[M+CH3COO]- 254.02256 179.9
[M+Na-2H]- 215.98338 140.9
[M]+ 195.00816 138.3
[M]- 195.00926 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