CID 130120623

1823366-03-5

Structural Information

Molecular Formula
C9H6F2O2
SMILES
C1COC(=O)C2=C1C=C(C=C2F)F
InChI
InChI=1S/C9H6F2O2/c10-6-3-5-1-2-13-9(12)8(5)7(11)4-6/h3-4H,1-2H2
InChIKey
OCLDUDQQXVIORV-UHFFFAOYSA-N
Compound name
6,8-difluoro-3,4-dihydroisochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03358 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.040856 131.0
[M+Na]+ 207.022798 141.1
[M-H]- 183.026304 134.2
[M+NH4]+ 202.067403 151.1
[M+K]+ 222.996738 139.4
[M+H-H2O]+ 167.030840 123.9
[M+HCOO]- 229.031781 150.2
[M+CH3COO]- 243.047431 181.5
[M+Na-2H]- 205.008246 138.2
[M]+ 184.03303142 128.6
[M]- 184.03412858 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

No patent data available for this compound.