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

461
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 116.1
[M+Na]+ 123.99245 126.9
[M-H]- 99.995954 117.4
[M+NH4]+ 119.03705 137.9
[M+K]+ 139.96639 124.5
[M+H-H2O]+ 84.000490 106.7
[M+HCOO]- 146.00143 132.4
[M+CH3COO]- 160.01708 180.1
[M+Na-2H]- 121.97790 122.6
[M]+ 101.00268 112.1
[M]- 101.00378 112.1
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