CID 12532249

6501-79-7

Structural Information

Molecular Formula
C9H6ClNO3
SMILES
COC1=C(C=CC2=C1NC(=O)C2=O)Cl
InChI
InChI=1S/C9H6ClNO3/c1-14-8-5(10)3-2-4-6(8)11-9(13)7(4)12/h2-3H,1H3,(H,11,12,13)
InChIKey
WINIDLWIIZXCJC-UHFFFAOYSA-N
Compound name
6-chloro-7-methoxy-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

211.00362 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01090 139.3
[M+Na]+ 233.99284 151.5
[M-H]- 209.99634 142.2
[M+NH4]+ 229.03744 160.5
[M+K]+ 249.96678 146.8
[M+H-H2O]+ 194.00088 134.9
[M+HCOO]- 256.00182 156.7
[M+CH3COO]- 270.01747 182.0
[M+Na-2H]- 231.97829 143.6
[M]+ 211.00307 142.4
[M]- 211.00417 142.4
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