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

138
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 126.9
[M+Na]+ 175.01324 135.5
[M-H]- 151.01674 127.4
[M+NH4]+ 170.05784 149.1
[M+K]+ 190.98718 134.7
[M+H-H2O]+ 135.02128 123.5
[M+HCOO]- 197.02222 146.5
[M+CH3COO]- 211.03787 172.6
[M+Na-2H]- 172.99869 133.0
[M]+ 152.02347 132.5
[M]- 152.02457 132.5
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