CID 79022214

6-chloro-7-fluoro-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula
C9H6ClFO2
SMILES
C1COC2=CC(=C(C=C2C1=O)Cl)F
InChI
InChI=1S/C9H6ClFO2/c10-6-3-5-8(12)1-2-13-9(5)4-7(6)11/h3-4H,1-2H2
InChIKey
NCJQKDQIJMTYJK-UHFFFAOYSA-N
Compound name
6-chloro-7-fluoro-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.00403 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01131 134.2
[M+Na]+ 222.99325 145.1
[M-H]- 198.99675 138.5
[M+NH4]+ 218.03785 154.6
[M+K]+ 238.96719 142.0
[M+H-H2O]+ 183.00129 128.9
[M+HCOO]- 245.00223 150.0
[M+CH3COO]- 259.01788 182.6
[M+Na-2H]- 220.97870 141.6
[M]+ 200.00348 135.0
[M]- 200.00458 135.0
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