CID 19710684

878383-01-8

Structural Information

Molecular Formula
C5H6ClN
SMILES
C(/C=C/CCl)C#N
InChI
InChI=1S/C5H6ClN/c6-4-2-1-3-5-7/h1-2H,3-4H2/b2-1+
InChIKey
MZTSMFMGZMDYGL-OWOJBTEDSA-N
Compound name
(E)-5-chloropent-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

115.018875 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.026151 119.3
[M+Na]+ 138.008093 130.1
[M-H]- 114.011599 120.4
[M+NH4]+ 133.052698 140.8
[M+K]+ 153.982033 127.1
[M+H-H2O]+ 98.016135 109.7
[M+HCOO]- 160.017076 136.2
[M+CH3COO]- 174.032726 181.5
[M+Na-2H]- 135.993541 126.6
[M]+ 115.01832642 116.3
[M]- 115.01942358 116.3
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