CID 20311383

68119-30-2

Structural Information

Molecular Formula
C8H5BrF2O2
SMILES
C1=CC2=C(C=C1CBr)OC(O2)(F)F
InChI
InChI=1S/C8H5BrF2O2/c9-4-5-1-2-6-7(3-5)13-8(10,11)12-6/h1-3H,4H2
InChIKey
AJSFRSHQRVBBKB-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2,2-difluoro-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

249.9441 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.95138 144.3
[M+Na]+ 272.93332 158.4
[M-H]- 248.93682 150.9
[M+NH4]+ 267.97792 167.6
[M+K]+ 288.90726 149.9
[M+H-H2O]+ 232.94136 144.8
[M+HCOO]- 294.94230 162.6
[M+CH3COO]- 308.95795 187.6
[M+Na-2H]- 270.91877 153.4
[M]+ 249.94355 163.5
[M]- 249.94465 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