CID 2741251

6,8-difluoro-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula
C9H6F2O2
SMILES
C1COC2=C(C1=O)C=C(C=C2F)F
InChI
InChI=1S/C9H6F2O2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4H,1-2H2
InChIKey
IYQNYCVNEQXHGU-UHFFFAOYSA-N
Compound name
6,8-difluoro-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

184.03358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04086 131.0
[M+Na]+ 207.02280 141.1
[M-H]- 183.02630 134.2
[M+NH4]+ 202.06740 151.1
[M+K]+ 222.99674 139.4
[M+H-H2O]+ 167.03084 123.9
[M+HCOO]- 229.03178 150.2
[M+CH3COO]- 243.04743 181.5
[M+Na-2H]- 205.00825 138.2
[M]+ 184.03303 128.6
[M]- 184.03413 128.6
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