CID 15354

Bromotriphenylethylene

Structural Information

Molecular Formula
C20H15Br
SMILES
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C20H15Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
InChIKey
VUQVJIUBUPPCDB-UHFFFAOYSA-N
Compound name
(1-bromo-2,2-diphenylethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

376
Patents

334.0357 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.04298 173.9
[M+Na]+ 357.02492 181.6
[M-H]- 333.02842 184.8
[M+NH4]+ 352.06952 190.2
[M+K]+ 372.99886 168.8
[M+H-H2O]+ 317.03296 172.3
[M+HCOO]- 379.03390 193.2
[M+CH3COO]- 393.04955 186.2
[M+Na-2H]- 355.01037 179.3
[M]+ 334.03515 189.0
[M]- 334.03625 189.0
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