CID 3057485

2-chloroethyl 2-chloro-3-allyloxypropyl sulfite

Structural Information

Molecular Formula
C8H14Cl2O4S
SMILES
C=CCOCC(COS(=O)OCCCl)Cl
InChI
InChI=1S/C8H14Cl2O4S/c1-2-4-12-6-8(10)7-14-15(11)13-5-3-9/h2,8H,1,3-7H2
InChIKey
UZVFGLXTCIVOCY-UHFFFAOYSA-N
Compound name
2-chloroethyl (2-chloro-3-prop-2-enoxypropyl) sulfite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.999 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00628 152.3
[M+Na]+ 298.98822 159.3
[M-H]- 274.99172 152.3
[M+NH4]+ 294.03282 170.1
[M+K]+ 314.96216 155.6
[M+H-H2O]+ 258.99626 149.1
[M+HCOO]- 320.99720 160.1
[M+CH3COO]- 335.01285 193.1
[M+Na-2H]- 296.97367 152.2
[M]+ 275.99845 162.0
[M]- 275.99955 162.0
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

No patent data available for this compound.