CID 40427089

2-(3-bromo-2,6-difluorophenyl)-1,3-dioxolane

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]+ 264.967026 151.3
[M+Na]+ 286.948968 163.9
[M-H]- 262.952474 159.6
[M+NH4]+ 281.993573 171.1
[M+K]+ 302.922908 155.2
[M+H-H2O]+ 246.957010 150.5
[M+HCOO]- 308.957951 169.4
[M+CH3COO]- 322.973601 190.6
[M+Na-2H]- 284.934416 156.4
[M]+ 263.95920142 168.2
[M]- 263.96029858 168.2
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.