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

4
Patents

130.93706 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.94434 111.5
[M+Na]+ 153.92628 125.6
[M-H]- 129.92978 114.4
[M+NH4]+ 148.97088 134.6
[M+K]+ 169.90022 115.7
[M+H-H2O]+ 113.93432 106.3
[M+HCOO]- 175.93526 132.9
[M+CH3COO]- 189.95091 182.6
[M+Na-2H]- 151.91173 121.3
[M]+ 130.93651 123.0
[M]- 130.93761 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