CID 93010

1,2-dibromo-1,2-diphenylethane

Structural Information

Molecular Formula
C14H12Br2
SMILES
C1=CC=C(C=C1)C(C(C2=CC=CC=C2)Br)Br
InChI
InChI=1S/C14H12Br2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H
InChIKey
GKESIQQTGWVOLH-UHFFFAOYSA-N
Compound name
(1,2-dibromo-2-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

88
Patents

337.93057 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.93785 157.1
[M+Na]+ 360.91979 165.4
[M-H]- 336.92329 165.6
[M+NH4]+ 355.96439 174.4
[M+K]+ 376.89373 150.4
[M+H-H2O]+ 320.92783 165.1
[M+HCOO]- 382.92877 171.9
[M+CH3COO]- 396.94442 209.3
[M+Na-2H]- 358.90524 163.0
[M]+ 337.93002 189.4
[M]- 337.93112 189.4
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.