CID 19015

1,2-dichlorocyclobutane-1,2-dicarbonitrile

Structural Information

Molecular Formula
C6H4Cl2N2
SMILES
C1CC(C1(C#N)Cl)(C#N)Cl
InChI
InChI=1S/C6H4Cl2N2/c7-5(3-9)1-2-6(5,8)4-10/h1-2H2
InChIKey
MKEHNGFZTJTLBC-UHFFFAOYSA-N
Compound name
1,2-dichlorocyclobutane-1,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

173.97516 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.982436 133.3
[M+Na]+ 196.964378 145.3
[M-H]- 172.967884 138.3
[M+NH4]+ 192.008983 146.7
[M+K]+ 212.938318 142.7
[M+H-H2O]+ 156.972420 120.4
[M+HCOO]- 218.973361 140.5
[M+CH3COO]- 232.989011 213.2
[M+Na-2H]- 194.949826 138.6
[M]+ 173.97461142 133.1
[M]- 173.97570858 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe