CID 25660

Dichloromalononitrile

Structural Information

Molecular Formula
C3Cl2N2
SMILES
C(#N)C(C#N)(Cl)Cl
InChI
InChI=1S/C3Cl2N2/c4-3(5,1-6)2-7
InChIKey
NCWGPYPDPWOJKC-UHFFFAOYSA-N
Compound name
2,2-dichloropropanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

133.94385 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.95113 138.8
[M+Na]+ 156.93307 150.1
[M-H]- 132.93657 141.3
[M+NH4]+ 151.97767 154.3
[M+K]+ 172.90701 146.9
[M+H-H2O]+ 116.94111 127.0
[M+HCOO]- 178.94205 145.6
[M+CH3COO]- 192.95770 206.8
[M+Na-2H]- 154.91852 143.1
[M]+ 133.94330 132.5
[M]- 133.94440 132.5
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