CID 69249

Benzal bromide

Structural Information

Molecular Formula
C7H6Br2
SMILES
C1=CC=C(C=C1)C(Br)Br
InChI
InChI=1S/C7H6Br2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKey
VCJZTATVUDMNLU-UHFFFAOYSA-N
Compound name
dibromomethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3169
Patents

247.88364 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.890916 132.2
[M+Na]+ 270.872858 142.7
[M-H]- 246.876364 139.0
[M+NH4]+ 265.917463 152.9
[M+K]+ 286.846798 128.0
[M+H-H2O]+ 230.880900 141.0
[M+HCOO]- 292.881841 148.6
[M+CH3COO]- 306.897491 196.2
[M+Na-2H]- 268.858306 140.6
[M]+ 247.88309142 165.1
[M]- 247.88418858 165.1
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