CID 2781658

2,6-dichloro-4-isocyanatopyridine

Structural Information

Molecular Formula
C6H2Cl2N2O
SMILES
C1=C(C=C(N=C1Cl)Cl)N=C=O
InChI
InChI=1S/C6H2Cl2N2O/c7-5-1-4(9-3-11)2-6(8)10-5/h1-2H
InChIKey
OCDFIQXUCLQQHY-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-isocyanatopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

273
Patents

187.95442 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.961696 131.3
[M+Na]+ 210.943638 143.0
[M-H]- 186.947144 134.8
[M+NH4]+ 205.988243 151.6
[M+K]+ 226.917578 138.5
[M+H-H2O]+ 170.951680 126.3
[M+HCOO]- 232.952621 148.7
[M+CH3COO]- 246.968271 182.8
[M+Na-2H]- 208.929086 139.1
[M]+ 187.95387142 135.2
[M]- 187.95496858 135.2
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