CID 108730

Carbonochloridothioic acid, s-dodecyl ester

Structural Information

Molecular Formula
C13H25ClOS
SMILES
CCCCCCCCCCCCSC(=O)Cl
InChI
InChI=1S/C13H25ClOS/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3
InChIKey
CRGLUKUAPXSVFQ-UHFFFAOYSA-N
Compound name
S-dodecyl chloromethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13147 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13875 163.3
[M+Na]+ 287.12069 168.4
[M-H]- 263.12419 162.7
[M+NH4]+ 282.16529 181.6
[M+K]+ 303.09463 163.6
[M+H-H2O]+ 247.12873 158.4
[M+HCOO]- 309.12967 174.3
[M+CH3COO]- 323.14532 197.1
[M+Na-2H]- 285.10614 161.8
[M]+ 264.13092 171.0
[M]- 264.13202 171.0
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.