CID 10999486

72769-05-2

Structural Information

Molecular Formula
C8H5BrF2O2
SMILES
C1=CC(=C2C(=C1)OC(O2)(F)F)CBr
InChI
InChI=1S/C8H5BrF2O2/c9-4-5-2-1-3-6-7(5)13-8(10,11)12-6/h1-3H,4H2
InChIKey
DWSQSTVDTPKIFZ-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2,2-difluoro-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

249.9441 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.951376 144.3
[M+Na]+ 272.933318 158.4
[M-H]- 248.936824 150.9
[M+NH4]+ 267.977923 167.6
[M+K]+ 288.907258 149.9
[M+H-H2O]+ 232.941360 144.8
[M+HCOO]- 294.942301 162.6
[M+CH3COO]- 308.957951 187.6
[M+Na-2H]- 270.918766 153.4
[M]+ 249.94355142 163.5
[M]- 249.94464858 163.5
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

patents stripe