CID 10934360

531508-36-8

Structural Information

Molecular Formula
C9H7BrF2O2
SMILES
C1=CC(=C2C(=C1)OC(O2)(F)F)CCBr
InChI
InChI=1S/C9H7BrF2O2/c10-5-4-6-2-1-3-7-8(6)14-9(11,12)13-7/h1-3H,4-5H2
InChIKey
JYEQNJYUQHXXBG-UHFFFAOYSA-N
Compound name
4-(2-bromoethyl)-2,2-difluoro-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.95975 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.96703 157.5
[M+Na]+ 286.94897 159.7
[M+NH4]+ 281.99357 162.8
[M+K]+ 302.92291 159.2
[M-H]- 262.95247 157.6
[M+Na-2H]- 284.93442 158.4
[M]+ 263.95920 156.8
[M]- 263.96030 156.8
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.