CID 11789585

1-chloroethyl isopropyl carbonate

Structural Information

Molecular Formula
C6H11ClO3
SMILES
CC(C)OC(=O)OC(C)Cl
InChI
InChI=1S/C6H11ClO3/c1-4(2)9-6(8)10-5(3)7/h4-5H,1-3H3
InChIKey
XPTPAIJDVFQPJT-UHFFFAOYSA-N
Compound name
1-chloroethyl propan-2-yl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

651
Patents

166.03967 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04695 131.2
[M+Na]+ 189.02889 139.0
[M-H]- 165.03239 131.8
[M+NH4]+ 184.07349 152.8
[M+K]+ 205.00283 138.8
[M+H-H2O]+ 149.03693 127.9
[M+HCOO]- 211.03787 148.6
[M+CH3COO]- 225.05352 177.3
[M+Na-2H]- 187.01434 134.4
[M]+ 166.03912 136.0
[M]- 166.04022 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe