CID 4961273

2-chloro-5-isocyanatopyridine

Structural Information

Molecular Formula
C6H3ClN2O
SMILES
C1=CC(=NC=C1N=C=O)Cl
InChI
InChI=1S/C6H3ClN2O/c7-6-2-1-5(3-8-6)9-4-10/h1-3H
InChIKey
WHENXACISRCOHK-UHFFFAOYSA-N
Compound name
2-chloro-5-isocyanatopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

153.9934 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00068 124.9
[M+Na]+ 176.98262 135.5
[M-H]- 152.98612 129.0
[M+NH4]+ 172.02722 146.1
[M+K]+ 192.95656 132.5
[M+H-H2O]+ 136.99066 119.2
[M+HCOO]- 198.99160 147.7
[M+CH3COO]- 213.00725 176.9
[M+Na-2H]- 174.96807 134.4
[M]+ 153.99285 127.6
[M]- 153.99395 127.6
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