CID 68007

3-fluorobenzyl bromide

Structural Information

Molecular Formula
C7H6BrF
SMILES
C1=CC(=CC(=C1)F)CBr
InChI
InChI=1S/C7H6BrF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey
SCBZBMXPJYMXRC-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5785
Patents

187.96368 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.970956 129.1
[M+Na]+ 210.952898 141.5
[M-H]- 186.956404 134.5
[M+NH4]+ 205.997503 152.6
[M+K]+ 226.926838 130.8
[M+H-H2O]+ 170.960940 129.3
[M+HCOO]- 232.961881 150.8
[M+CH3COO]- 246.977531 180.1
[M+Na-2H]- 208.938346 138.0
[M]+ 187.96313142 146.2
[M]- 187.96422858 146.2
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

patents stripe