CID 3034653

Dichlorofumaronitrile

Structural Information

Molecular Formula
C4Cl2N2
SMILES
C(#N)/C(=C(/C#N)\Cl)/Cl
InChI
InChI=1S/C4Cl2N2/c5-3(1-7)4(6)2-8/b4-3+
InChIKey
UAIXJNRQLIOTOZ-ONEGZZNKSA-N
Compound name
(E)-2,3-dichlorobut-2-enedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

145.94385 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.95113 139.5
[M+Na]+ 168.93307 150.4
[M-H]- 144.93657 141.9
[M+NH4]+ 163.97767 154.6
[M+K]+ 184.90701 146.7
[M+H-H2O]+ 128.94111 127.5
[M+HCOO]- 190.94205 146.1
[M+CH3COO]- 204.95770 208.5
[M+Na-2H]- 166.91852 141.9
[M]+ 145.94330 132.6
[M]- 145.94440 132.6
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