CID 10477

Cyanogen chloride

Structural Information

Molecular Formula
CClN
SMILES
C(#N)Cl
InChI
InChI=1S/CClN/c2-1-3
InChIKey
QPJDMGCKMHUXFD-UHFFFAOYSA-N
Compound name
carbononitridic chloride
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

77
References

10661
Patents

60.971928 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 61.979204 102.5
[M+Na]+ 83.961146 114.3
[M-H]- 59.964652 104.1
[M+NH4]+ 79.005751 125.8
[M+K]+ 99.935086 112.9
[M+H-H2O]+ 43.969188 93.6
[M+HCOO]- 105.97013 120.4
[M+CH3COO]- 119.98578 172.7
[M+Na-2H]- 81.946594 111.9
[M]+ 60.971379 98.9
[M]- 60.972477 98.9
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