CID 14601239

(2e)-4-chlorobut-2-enenitrile

Structural Information

Molecular Formula
C4H4ClN
SMILES
C(/C=C/C#N)Cl
InChI
InChI=1S/C4H4ClN/c5-3-1-2-4-6/h1-2H,3H2/b2-1+
InChIKey
TVATXSHJPUWJHZ-OWOJBTEDSA-N
Compound name
(E)-4-chlorobut-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

101.00323 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.01051 115.3
[M+Na]+ 123.99245 126.4
[M-H]- 99.995954 116.5
[M+NH4]+ 119.03705 137.3
[M+K]+ 139.96639 123.6
[M+H-H2O]+ 84.000490 105.9
[M+HCOO]- 146.00143 132.5
[M+CH3COO]- 160.01708 178.8
[M+Na-2H]- 121.97790 123.1
[M]+ 101.00268 111.9
[M]- 101.00378 111.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe