CID 2736651

3-chloropropyl(diphenyl)sulfanium;tetrafluoroborate

Structural Information

Molecular Formula
C15H16ClS
SMILES
C1=CC=C(C=C1)[S+](CCCCl)C2=CC=CC=C2
InChI
InChI=1S/C15H16ClS/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2/q+1
InChIKey
RRSCKNNTJGOTAD-UHFFFAOYSA-N
Compound name
3-chloropropyl(diphenyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

263.06613 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07341 157.8
[M+Na]+ 286.05535 164.5
[M-H]- 262.05885 164.2
[M+NH4]+ 281.09995 175.2
[M+K]+ 302.02929 153.1
[M+H-H2O]+ 246.06339 154.2
[M+HCOO]- 308.06433 170.9
[M+CH3COO]- 322.07998 187.2
[M+Na-2H]- 284.04080 162.5
[M]+ 263.06558 159.6
[M]- 263.06668 159.6
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

patents stripe