CID 18351187

(pyridin-3-yl)methyl chloroformate hydrochloride

Structural Information

Molecular Formula
C7H6ClNO2
SMILES
C1=CC(=CN=C1)COC(=O)Cl
InChI
InChI=1S/C7H6ClNO2/c8-7(10)11-5-6-2-1-3-9-4-6/h1-4H,5H2
InChIKey
RMDRDKGNLXKQEA-UHFFFAOYSA-N
Compound name
pyridin-3-ylmethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

171.00871 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.01599 129.6
[M+Na]+ 193.99793 138.7
[M-H]- 170.00143 132.0
[M+NH4]+ 189.04253 149.4
[M+K]+ 209.97187 136.2
[M+H-H2O]+ 154.00597 124.0
[M+HCOO]- 216.00691 148.7
[M+CH3COO]- 230.02256 175.1
[M+Na-2H]- 191.98338 137.4
[M]+ 171.00816 132.7
[M]- 171.00926 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