CID 12867395

2,3-bis(4-bromophenyl)-2-butenedinitrile

Structural Information

Molecular Formula
C16H8Br2N2
SMILES
C1=CC(=CC=C1/C(=C(\C#N)/C2=CC=C(C=C2)Br)/C#N)Br
InChI
InChI=1S/C16H8Br2N2/c17-13-5-1-11(2-6-13)15(9-19)16(10-20)12-3-7-14(18)8-4-12/h1-8H/b16-15+
InChIKey
RWHQRUSYDYNSTI-FOCLMDBBSA-N
Compound name
(E)-2,3-bis(4-bromophenyl)but-2-enedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

385.90543 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.91271 159.1
[M+Na]+ 408.89465 170.5
[M-H]- 384.89815 161.4
[M+NH4]+ 403.93925 169.2
[M+K]+ 424.86859 155.1
[M+H-H2O]+ 368.90269 154.7
[M+HCOO]- 430.90363 172.0
[M+CH3COO]- 444.91928 234.7
[M+Na-2H]- 406.88010 160.9
[M]+ 385.90488 173.4
[M]- 385.90598 173.4
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