CID 2777062

3,4,5-trifluorobenzyl bromide

Structural Information

Molecular Formula
C7H4BrF3
SMILES
C1=C(C=C(C(=C1F)F)F)CBr
InChI
InChI=1S/C7H4BrF3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2
InChIKey
MPEKZIYOLQCWLL-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

470
Patents

223.94485 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.952126 135.6
[M+Na]+ 246.934068 149.8
[M-H]- 222.937574 139.1
[M+NH4]+ 241.978673 158.1
[M+K]+ 262.908008 138.1
[M+H-H2O]+ 206.942110 134.1
[M+HCOO]- 268.943051 155.2
[M+CH3COO]- 282.958701 187.3
[M+Na-2H]- 244.919516 141.8
[M]+ 223.94430142 151.0
[M]- 223.94539858 151.0
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