CID 165647729

1-(bromomethyl)-4-(2,2-difluoroethyl)benzene

Structural Information

Molecular Formula
C9H9BrF2
SMILES
C1=CC(=CC=C1CC(F)F)CBr
InChI
InChI=1S/C9H9BrF2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,9H,5-6H2
InChIKey
WOBYZCPVTYQJJJ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-(2,2-difluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.98557 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992846 143.3
[M+Na]+ 256.974788 154.6
[M-H]- 232.978294 147.0
[M+NH4]+ 252.019393 164.8
[M+K]+ 272.948728 143.2
[M+H-H2O]+ 216.982830 142.0
[M+HCOO]- 278.983771 162.3
[M+CH3COO]- 292.999421 189.0
[M+Na-2H]- 254.960236 149.1
[M]+ 233.98502142 159.2
[M]- 233.98611858 159.2
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.