CID 16791864

954252-18-7

Structural Information

Molecular Formula
C8H3ClFNO2
SMILES
C1=CC(=C2C(=C1F)NC(=O)C2=O)Cl
InChI
InChI=1S/C8H3ClFNO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13)
InChIKey
JGPDIMCZEPIIMI-UHFFFAOYSA-N
Compound name
4-chloro-7-fluoro-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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

literature stripe

Patent stripe

patents stripe