CID 11063293

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

Structural Information

Molecular Formula
C11H11FO2
SMILES
CC1(CC(=O)C2=C(O1)C=CC(=C2)F)C
InChI
InChI=1S/C11H11FO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5H,6H2,1-2H3
InChIKey
MPJMDEXLUJRBBJ-UHFFFAOYSA-N
Compound name
6-fluoro-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

194.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.081586 136.6
[M+Na]+ 217.063528 146.8
[M-H]- 193.067034 141.2
[M+NH4]+ 212.108133 158.5
[M+K]+ 233.037468 145.3
[M+H-H2O]+ 177.071570 130.7
[M+HCOO]- 239.072511 156.2
[M+CH3COO]- 253.088161 184.3
[M+Na-2H]- 215.048976 144.5
[M]+ 194.07376142 136.3
[M]- 194.07485858 136.3
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