CID 14787051

Chloromethyl isopropyl carbonate

Structural Information

Molecular Formula
C5H9ClO3
SMILES
CC(C)OC(=O)OCCl
InChI
InChI=1S/C5H9ClO3/c1-4(2)9-5(7)8-3-6/h4H,3H2,1-2H3
InChIKey
JHYNXXBAHWPABC-UHFFFAOYSA-N
Compound name
chloromethyl propan-2-yl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1943
Patents

152.02402 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03130 126.7
[M+Na]+ 175.01324 135.2
[M-H]- 151.01674 127.4
[M+NH4]+ 170.05784 149.0
[M+K]+ 190.98718 134.8
[M+H-H2O]+ 135.02128 123.5
[M+HCOO]- 197.02222 145.5
[M+CH3COO]- 211.03787 173.4
[M+Na-2H]- 172.99869 131.7
[M]+ 152.02347 131.8
[M]- 152.02457 131.8
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