CID 40427089

887268-17-9

Structural Information

Molecular Formula
C9H7BrF2O2
SMILES
C1COC(O1)C2=C(C=CC(=C2F)Br)F
InChI
InChI=1S/C9H7BrF2O2/c10-5-1-2-6(11)7(8(5)12)9-13-3-4-14-9/h1-2,9H,3-4H2
InChIKey
CDTLXOMTRLLSEI-UHFFFAOYSA-N
Compound name
2-(3-bromo-2,6-difluorophenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.95975 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.96703 158.7
[M+Na]+ 286.94897 161.2
[M+NH4]+ 281.99357 162.6
[M+K]+ 302.92291 162.4
[M-H]- 262.95247 160.1
[M+Na-2H]- 284.93442 159.6
[M]+ 263.95920 158.2
[M]- 263.96030 158.2
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.