CID 15741338

(2z)-3-bromoprop-2-enenitrile

Structural Information

Molecular Formula
C3H2BrN
SMILES
C(=C\Br)\C#N
InChI
InChI=1S/C3H2BrN/c4-2-1-3-5/h1-2H/b2-1-
InChIKey
PCNPNEFEZSKSEK-UPHRSURJSA-N
Compound name
(Z)-3-bromoprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

130.93706 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.944336 111.5
[M+Na]+ 153.926278 125.6
[M-H]- 129.929784 114.4
[M+NH4]+ 148.970883 134.6
[M+K]+ 169.900218 115.7
[M+H-H2O]+ 113.934320 106.3
[M+HCOO]- 175.935261 132.9
[M+CH3COO]- 189.950911 182.6
[M+Na-2H]- 151.911726 121.3
[M]+ 130.93651142 123.0
[M]- 130.93760858 123.0
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

patents stripe