CID 15256996

Butyl chloromethyl carbonate

Structural Information

Molecular Formula
C6H11ClO3
SMILES
CCCCOC(=O)OCCl
InChI
InChI=1S/C6H11ClO3/c1-2-3-4-9-6(8)10-5-7/h2-5H2,1H3
InChIKey
MBUCWFHXWNITCQ-UHFFFAOYSA-N
Compound name
butyl chloromethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

166.03967 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.046946 131.6
[M+Na]+ 189.028888 139.8
[M-H]- 165.032394 132.0
[M+NH4]+ 184.073493 153.3
[M+K]+ 205.002828 138.7
[M+H-H2O]+ 149.036930 128.0
[M+HCOO]- 211.037871 151.0
[M+CH3COO]- 225.053521 175.6
[M+Na-2H]- 187.014336 137.2
[M]+ 166.03912142 137.6
[M]- 166.04021858 137.6
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