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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.