CID 3018370

Sulfonium, (chlorophenyl)diphenyl-, hexafluorophosphate(1-)

Structural Information

Molecular Formula
C18H14ClS
SMILES
C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H14ClS/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H/q+1
InChIKey
ICDPQXOSMPGEKY-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-diphenylsulfanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

47
Patents

297.05048 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.05776 167.1
[M+Na]+ 320.03970 174.7
[M-H]- 296.04320 176.8
[M+NH4]+ 315.08430 182.8
[M+K]+ 336.01364 162.2
[M+H-H2O]+ 280.04774 162.3
[M+HCOO]- 342.04868 180.5
[M+CH3COO]- 356.06433 193.2
[M+Na-2H]- 318.02515 172.0
[M]+ 297.04993 167.9
[M]- 297.05103 167.9
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