CID 142785

4-(trifluoromethoxy)benzyl bromide

Structural Information

Molecular Formula
C8H6BrF3O
SMILES
C1=CC(=CC=C1CBr)OC(F)(F)F
InChI
InChI=1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChIKey
JDNPUJCKXLOHOW-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2223
Patents

253.95541 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96269 154.6
[M+Na]+ 276.94463 156.2
[M+NH4]+ 271.98923 157.7
[M+K]+ 292.91857 155.6
[M-H]- 252.94813 151.2
[M+Na-2H]- 274.93008 156.3
[M]+ 253.95486 152.7
[M]- 253.95596 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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