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

113
Patents

153.9934 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.000676 124.9
[M+Na]+ 176.982618 135.5
[M-H]- 152.986124 129.0
[M+NH4]+ 172.027223 146.1
[M+K]+ 192.956558 132.5
[M+H-H2O]+ 136.990660 119.2
[M+HCOO]- 198.991601 147.7
[M+CH3COO]- 213.007251 176.9
[M+Na-2H]- 174.968066 134.4
[M]+ 153.99285142 127.6
[M]- 153.99394858 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