CID 24308

2-(chloromethyl)prop-2-enenitrile

Structural Information

Molecular Formula
C4H4ClN
SMILES
C=C(CCl)C#N
InChI
InChI=1S/C4H4ClN/c1-4(2-5)3-6/h1-2H2
InChIKey
QIBPJPNDSZRXRO-UHFFFAOYSA-N
Compound name
2-(chloromethyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

402
Patents

101.00323 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.01051 115.3
[M+Na]+ 123.99245 126.9
[M+NH4]+ 119.03705 121.0
[M+K]+ 139.96639 118.1
[M-H]- 99.995954 108.5
[M+Na-2H]- 121.97790 118.4
[M]+ 101.00268 114.4
[M]- 101.00378 114.4
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