CID 167742301

2-chloro-5-isocyanato-4-methylpyridine

Structural Information

Molecular Formula
C7H5ClN2O
SMILES
CC1=CC(=NC=C1N=C=O)Cl
InChI
InChI=1S/C7H5ClN2O/c1-5-2-7(8)9-3-6(5)10-4-11/h2-3H,1H3
InChIKey
KAQBZMSIZQMXSD-UHFFFAOYSA-N
Compound name
2-chloro-5-isocyanato-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.00903 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.016306 129.3
[M+Na]+ 190.998248 140.4
[M-H]- 167.001754 133.6
[M+NH4]+ 186.042853 150.2
[M+K]+ 206.972188 137.1
[M+H-H2O]+ 151.006290 123.6
[M+HCOO]- 213.007231 151.8
[M+CH3COO]- 227.022881 181.0
[M+Na-2H]- 188.983696 137.6
[M]+ 168.00848142 132.7
[M]- 168.00957858 132.7
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

No patent data available for this compound.