CID 90297

2,4-difluorobenzyl bromide

Structural Information

Molecular Formula
C7H5BrF2
SMILES
C1=CC(=C(C=C1F)F)CBr
InChI
InChI=1S/C7H5BrF2/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKey
IBLMYGXJKQIGSN-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2588
Patents

205.95427 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.96155 138.7
[M+Na]+ 228.94349 142.3
[M+NH4]+ 223.98809 143.6
[M+K]+ 244.91743 141.0
[M-H]- 204.94699 137.7
[M+Na-2H]- 226.92894 142.1
[M]+ 205.95372 137.8
[M]- 205.95482 137.8
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