CID 11126402

4-bromo-2-butenenitrile

Structural Information

Molecular Formula
C4H4BrN
SMILES
C(/C=C/C#N)Br
InChI
InChI=1S/C4H4BrN/c5-3-1-2-4-6/h1-2H,3H2/b2-1+
InChIKey
DNQQWHOUZPHKMD-OWOJBTEDSA-N
Compound name
(E)-4-bromobut-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

144.95271 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.95999 124.0
[M+Na]+ 167.94193 127.0
[M+NH4]+ 162.98653 126.4
[M+K]+ 183.91587 123.7
[M-H]- 143.94543 117.0
[M+Na-2H]- 165.92738 124.6
[M]+ 144.95216 120.6
[M]- 144.95326 120.6
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