CID 129959703

3-bromo-5-(difluoromethyl)benzyl bromide

Structural Information

Molecular Formula
C8H6Br2F2
SMILES
C1=C(C=C(C=C1C(F)F)Br)CBr
InChI
InChI=1S/C8H6Br2F2/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3,8H,4H2
InChIKey
CTCULAYIHDSLFE-UHFFFAOYSA-N
Compound name
1-bromo-3-(bromomethyl)-5-(difluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.88043 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.88771 144.0
[M+Na]+ 320.86965 155.4
[M-H]- 296.87315 148.9
[M+NH4]+ 315.91425 163.3
[M+K]+ 336.84359 139.6
[M+H-H2O]+ 280.87769 151.0
[M+HCOO]- 342.87863 158.3
[M+CH3COO]- 356.89428 204.2
[M+Na-2H]- 318.85510 149.4
[M]+ 297.87988 175.6
[M]- 297.88098 175.6
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.