CID 92935

2,3-dichloropropiononitrile

Structural Information

Molecular Formula
C3H3Cl2N
SMILES
C(C(C#N)Cl)Cl
InChI
InChI=1S/C3H3Cl2N/c4-1-3(5)2-6/h3H,1H2
InChIKey
RJJDLPQZNANQDQ-UHFFFAOYSA-N
Compound name
2,3-dichloropropanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

231
Patents

122.96426 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.97154 117.9
[M+Na]+ 145.95348 129.4
[M-H]- 121.95698 118.8
[M+NH4]+ 140.99808 139.4
[M+K]+ 161.92742 125.9
[M+H-H2O]+ 105.96152 109.6
[M+HCOO]- 167.96246 129.9
[M+CH3COO]- 181.97811 182.7
[M+Na-2H]- 143.93893 124.3
[M]+ 122.96371 115.1
[M]- 122.96481 115.1
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