CID 536613

2,6-lutidine 3,5-dichloro-4-dodecylthio-

Structural Information

Molecular Formula
C19H31Cl2NS
SMILES
CCCCCCCCCCCCSC1=C(C(=NC(=C1Cl)C)C)Cl
InChI
InChI=1S/C19H31Cl2NS/c1-4-5-6-7-8-9-10-11-12-13-14-23-19-17(20)15(2)22-16(3)18(19)21/h4-14H2,1-3H3
InChIKey
QGBWWLVFYIIBJI-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-dodecylsulfanyl-2,6-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.15543 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.162706 186.8
[M+Na]+ 398.144648 194.4
[M-H]- 374.148154 187.8
[M+NH4]+ 393.189253 200.7
[M+K]+ 414.118588 186.1
[M+H-H2O]+ 358.152690 180.6
[M+HCOO]- 420.153631 191.8
[M+CH3COO]- 434.169281 219.8
[M+Na-2H]- 396.130096 182.7
[M]+ 375.15488142 196.8
[M]- 375.15597858 196.8
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.