CID 16783755

5-chloro-7-fluoro-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C8H3ClFNO2
SMILES
C1=C(C=C(C2=C1C(=O)C(=O)N2)F)Cl
InChI
InChI=1S/C8H3ClFNO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChIKey
YXFUMUTYASYEGQ-UHFFFAOYSA-N
Compound name
5-chloro-7-fluoro-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

198.98363 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.99091 134.1
[M+Na]+ 221.97285 147.0
[M-H]- 197.97635 135.7
[M+NH4]+ 217.01745 155.8
[M+K]+ 237.94679 141.4
[M+H-H2O]+ 181.98089 129.0
[M+HCOO]- 243.98183 150.6
[M+CH3COO]- 257.99748 179.6
[M+Na-2H]- 219.95830 138.3
[M]+ 198.98308 134.3
[M]- 198.98418 134.3
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