CID 2733093

2,3-dichloroacrylonitrile

Structural Information

Molecular Formula
C3HCl2N
SMILES
C(=C(/C#N)\Cl)\Cl
InChI
InChI=1S/C3HCl2N/c4-1-3(5)2-6/h1H/b3-1-
InChIKey
NDWDVOQVCRKCDJ-IWQZZHSRSA-N
Compound name
(Z)-2,3-dichloroprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

120.9486 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.95588 118.4
[M+Na]+ 143.93782 130.2
[M-H]- 119.94132 119.3
[M+NH4]+ 138.98242 139.9
[M+K]+ 159.91176 126.2
[M+H-H2O]+ 103.94586 110.1
[M+HCOO]- 165.94680 130.5
[M+CH3COO]- 179.96245 181.2
[M+Na-2H]- 141.92327 124.7
[M]+ 120.94805 114.9
[M]- 120.94915 114.9
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