CID 12257120

2-amino-3,3-dichloroprop-2-enenitrile

Structural Information

Molecular Formula
C3H2Cl2N2
SMILES
C(#N)C(=C(Cl)Cl)N
InChI
InChI=1S/C3H2Cl2N2/c4-3(5)2(7)1-6/h7H2
InChIKey
ZNXSUWSNVODENE-UHFFFAOYSA-N
Compound name
2-amino-3,3-dichloroprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

135.9595 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.966776 126.1
[M+Na]+ 158.948718 136.7
[M-H]- 134.952224 126.4
[M+NH4]+ 153.993323 146.3
[M+K]+ 174.922658 132.9
[M+H-H2O]+ 118.956760 117.4
[M+HCOO]- 180.957701 137.5
[M+CH3COO]- 194.973351 185.5
[M+Na-2H]- 156.934166 130.0
[M]+ 135.95895142 120.4
[M]- 135.96004858 120.4
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