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]+ 264.967026 149.1
[M+Na]+ 286.948968 162.8
[M-H]- 262.952474 155.5
[M+NH4]+ 281.993573 171.9
[M+K]+ 302.922908 154.1
[M+H-H2O]+ 246.957010 149.4
[M+HCOO]- 308.957951 167.1
[M+CH3COO]- 322.973601 190.4
[M+Na-2H]- 284.934416 157.6
[M]+ 263.95920142 168.7
[M]- 263.96029858 168.7
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.