CID 21149558

Sulfonium, bis(chlorophenyl)phenyl-, hexafluorophosphate(1-)

Structural Information

Molecular Formula
C18H13Cl2S
SMILES
C1=CC=C(C=C1)[S+](C2=CC=CC=C2Cl)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H13Cl2S/c19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20/h1-13H/q+1
InChIKey
RHIQULSILJCKIF-UHFFFAOYSA-N
Compound name
bis(2-chlorophenyl)-phenylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

331.0115 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.01878 171.9
[M+Na]+ 354.00072 180.4
[M-H]- 330.00422 180.9
[M+NH4]+ 349.04532 186.9
[M+K]+ 369.97466 167.2
[M+H-H2O]+ 314.00876 167.9
[M+HCOO]- 376.00970 180.2
[M+CH3COO]- 390.02535 198.6
[M+Na-2H]- 351.98617 175.4
[M]+ 331.01095 174.4
[M]- 331.01205 174.4
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