CID 167735722

7,9-difluoro-2,3,4,5-tetrahydro-1-benzoxepine-3,5-dione

Structural Information

Molecular Formula
C10H6F2O3
SMILES
C1C(=O)COC2=C(C1=O)C=C(C=C2F)F
InChI
InChI=1S/C10H6F2O3/c11-5-1-7-9(14)3-6(13)4-15-10(7)8(12)2-5/h1-2H,3-4H2
InChIKey
RDFQMIVBUTVKAD-UHFFFAOYSA-N
Compound name
7,9-difluoro-1-benzoxepine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0285 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03578 130.0
[M+Na]+ 235.01772 139.0
[M-H]- 211.02122 134.7
[M+NH4]+ 230.06232 148.0
[M+K]+ 250.99166 141.7
[M+H-H2O]+ 195.02576 124.6
[M+HCOO]- 257.02670 148.9
[M+CH3COO]- 271.04235 188.4
[M+Na-2H]- 233.00317 136.3
[M]+ 212.02795 126.2
[M]- 212.02905 126.2
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.