CID 3057483

Sulfurous acid, butyl 2-chloro-2-propenyl ester

Structural Information

Molecular Formula
C7H13ClO3S
SMILES
CCCCOS(=O)OCC(=C)Cl
InChI
InChI=1S/C7H13ClO3S/c1-3-4-5-10-12(9)11-6-7(2)8/h2-6H2,1H3
InChIKey
BOQZIZHMNYENQE-UHFFFAOYSA-N
Compound name
butyl 2-chloroprop-2-enyl sulfite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02739 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03467 141.6
[M+Na]+ 235.01661 148.9
[M-H]- 211.02011 142.1
[M+NH4]+ 230.06121 161.6
[M+K]+ 250.99055 146.4
[M+H-H2O]+ 195.02465 137.6
[M+HCOO]- 257.02559 154.2
[M+CH3COO]- 271.04124 183.7
[M+Na-2H]- 233.00206 142.2
[M]+ 212.02684 148.7
[M]- 212.02794 148.7
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.