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 151.3
[M+Na]+ 286.94897 163.9
[M-H]- 262.95247 159.6
[M+NH4]+ 281.99357 171.1
[M+K]+ 302.92291 155.2
[M+H-H2O]+ 246.95701 150.5
[M+HCOO]- 308.95795 169.4
[M+CH3COO]- 322.97360 190.6
[M+Na-2H]- 284.93442 156.4
[M]+ 263.95920 168.2
[M]- 263.96030 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.