CID 688989

527751-31-1

Structural Information

Molecular Formula
C9H3ClFNO4
SMILES
C1=CC2=C(C=C1F)C(=C(C(=O)O2)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H3ClFNO4/c10-7-5-3-4(11)1-2-6(5)16-9(13)8(7)12(14)15/h1-3H
InChIKey
HNGGDISWABEPNU-UHFFFAOYSA-N
Compound name
4-chloro-6-fluoro-3-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.97346 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.98074 141.8
[M+Na]+ 265.96268 153.4
[M-H]- 241.96618 146.7
[M+NH4]+ 261.00728 159.6
[M+K]+ 281.93662 146.6
[M+H-H2O]+ 225.97072 140.7
[M+HCOO]- 287.97166 161.3
[M+CH3COO]- 301.98731 184.7
[M+Na-2H]- 263.94813 151.3
[M]+ 242.97291 144.9
[M]- 242.97401 144.9
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

No patent data available for this compound.