CID 57425943

5-bromo-2-(trifluoromethoxy)benzyl bromide

Structural Information

Molecular Formula
C8H5Br2F3O
SMILES
C1=CC(=C(C=C1Br)CBr)OC(F)(F)F
InChI
InChI=1S/C8H5Br2F3O/c9-4-5-3-6(10)1-2-7(5)14-8(11,12)13/h1-3H,4H2
InChIKey
STLDIGBRVPBGSV-UHFFFAOYSA-N
Compound name
4-bromo-2-(bromomethyl)-1-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

331.8659 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.87318 152.9
[M+Na]+ 354.85512 164.8
[M-H]- 330.85862 156.9
[M+NH4]+ 349.89972 171.1
[M+K]+ 370.82906 148.9
[M+H-H2O]+ 314.86316 159.2
[M+HCOO]- 376.86410 166.0
[M+CH3COO]- 390.87975 206.9
[M+Na-2H]- 352.84057 158.7
[M]+ 331.86535 184.5
[M]- 331.86645 184.5
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