CID 22595330

Chloromethyl propyl carbonate

Structural Information

Molecular Formula
C5H9ClO3
SMILES
CCCOC(=O)OCCl
InChI
InChI=1S/C5H9ClO3/c1-2-3-8-5(7)9-4-6/h2-4H2,1H3
InChIKey
WHIKAFFCTCQLQW-UHFFFAOYSA-N
Compound name
chloromethyl propyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

152.02402 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03130 126.6
[M+Na]+ 175.01324 137.5
[M+NH4]+ 170.05784 134.3
[M+K]+ 190.98718 132.3
[M-H]- 151.01674 125.3
[M+Na-2H]- 172.99869 130.4
[M]+ 152.02347 127.8
[M]- 152.02457 127.8
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