CID 6436551

24325-95-9

Structural Information

Molecular Formula
C4H4BrN
SMILES
C/C=C(\C#N)/Br
InChI
InChI=1S/C4H4BrN/c1-2-4(5)3-6/h2H,1H3/b4-2+
InChIKey
WOUZQGAYHWFJNF-DUXPYHPUSA-N
Compound name
(E)-2-bromobut-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.95271 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.959986 117.3
[M+Na]+ 167.941928 130.7
[M-H]- 143.945434 120.0
[M+NH4]+ 162.986533 139.8
[M+K]+ 183.915868 120.9
[M+H-H2O]+ 127.949970 111.8
[M+HCOO]- 189.950911 137.5
[M+CH3COO]- 203.966561 185.8
[M+Na-2H]- 165.927376 125.3
[M]+ 144.95216142 128.5
[M]- 144.95325858 128.5
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.