CID 5358304

Alpha,beta-dibromostilbene

Structural Information

Molecular Formula
C14H10Br2
SMILES
C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\Br)/Br
InChI
InChI=1S/C14H10Br2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H/b14-13+
InChIKey
XNJYRGMCZCPTJE-BUHFOSPRSA-N
Compound name
[(E)-1,2-dibromo-2-phenylethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

335.91492 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.92220 155.7
[M+Na]+ 358.90414 164.3
[M-H]- 334.90764 164.3
[M+NH4]+ 353.94874 173.1
[M+K]+ 374.87808 148.8
[M+H-H2O]+ 318.91218 163.8
[M+HCOO]- 380.91312 170.7
[M+CH3COO]- 394.92877 208.2
[M+Na-2H]- 356.88959 161.6
[M]+ 335.91437 187.5
[M]- 335.91547 187.5
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