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

1
Patents

173.97516 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98244 133.3
[M+Na]+ 196.96438 145.3
[M-H]- 172.96788 138.3
[M+NH4]+ 192.00898 146.7
[M+K]+ 212.93832 142.7
[M+H-H2O]+ 156.97242 120.4
[M+HCOO]- 218.97336 140.5
[M+CH3COO]- 232.98901 213.2
[M+Na-2H]- 194.94983 138.6
[M]+ 173.97461 133.1
[M]- 173.97571 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