CID 6437626

Alpha,beta-dibromostyrene

Structural Information

Molecular Formula
C8H6Br2
SMILES
C1=CC=C(C=C1)/C(=C\Br)/Br
InChI
InChI=1S/C8H6Br2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H/b8-6+
InChIKey
PBTWQCPURDEMRQ-SOFGYWHQSA-N
Compound name
[(E)-1,2-dibromoethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

259.88364 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.89092 134.8
[M+Na]+ 282.87286 145.3
[M-H]- 258.87636 141.6
[M+NH4]+ 277.91746 155.1
[M+K]+ 298.84680 130.0
[M+H-H2O]+ 242.88090 143.6
[M+HCOO]- 304.88184 151.2
[M+CH3COO]- 318.89749 197.3
[M+Na-2H]- 280.85831 142.9
[M]+ 259.88309 167.4
[M]- 259.88419 167.4
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