CID 165636090

2-chloro-5-isocyanato-3-methylpyridine

Structural Information

Molecular Formula
C7H5ClN2O
SMILES
CC1=CC(=CN=C1Cl)N=C=O
InChI
InChI=1S/C7H5ClN2O/c1-5-2-6(10-4-11)3-9-7(5)8/h2-3H,1H3
InChIKey
HRTFYSDPMJDKSZ-UHFFFAOYSA-N
Compound name
2-chloro-5-isocyanato-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.00903 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01631 129.3
[M+Na]+ 190.99825 140.4
[M-H]- 167.00175 133.6
[M+NH4]+ 186.04285 150.2
[M+K]+ 206.97219 137.1
[M+H-H2O]+ 151.00629 123.6
[M+HCOO]- 213.00723 151.8
[M+CH3COO]- 227.02288 181.0
[M+Na-2H]- 188.98370 137.6
[M]+ 168.00848 132.7
[M]- 168.00958 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

patents stripe