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]+ 116.02615 119.3
[M+Na]+ 138.00809 130.1
[M-H]- 114.01160 120.4
[M+NH4]+ 133.05270 140.8
[M+K]+ 153.98203 127.1
[M+H-H2O]+ 98.016135 109.7
[M+HCOO]- 160.01708 136.2
[M+CH3COO]- 174.03273 181.5
[M+Na-2H]- 135.99354 126.6
[M]+ 115.01833 116.3
[M]- 115.01942 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