CID 3057498

Beta-chloroethyl iso decoxyethyl sulfite

Structural Information

Molecular Formula
C14H29ClO4S
SMILES
CC(C)CCCCCCCOCCOS(=O)OCCCl
InChI
InChI=1S/C14H29ClO4S/c1-14(2)8-6-4-3-5-7-10-17-12-13-19-20(16)18-11-9-15/h14H,3-13H2,1-2H3
InChIKey
CUSWNRBNKBVACW-UHFFFAOYSA-N
Compound name
2-chloroethyl 2-(8-methylnonoxy)ethyl sulfite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.14752 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15480 176.7
[M+Na]+ 351.13674 180.6
[M-H]- 327.14024 175.7
[M+NH4]+ 346.18134 192.1
[M+K]+ 367.11068 177.4
[M+H-H2O]+ 311.14478 171.1
[M+HCOO]- 373.14572 187.2
[M+CH3COO]- 387.16137 207.1
[M+Na-2H]- 349.12219 174.0
[M]+ 328.14697 188.6
[M]- 328.14807 188.6
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.