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
1
Annotation Hits

2
References

3277
Patents

247.88364 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.89092 132.2
[M+Na]+ 270.87286 142.7
[M-H]- 246.87636 139.0
[M+NH4]+ 265.91746 152.9
[M+K]+ 286.84680 128.0
[M+H-H2O]+ 230.88090 141.0
[M+HCOO]- 292.88184 148.6
[M+CH3COO]- 306.89749 196.2
[M+Na-2H]- 268.85831 140.6
[M]+ 247.88309 165.1
[M]- 247.88419 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