CID 3497654

(4-fluorophenyl)diphenylsulfonium triflate

Structural Information

Molecular Formula
C18H14FS
SMILES
C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H14FS/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H/q+1
InChIKey
JTOWCKDEJVXWAR-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-diphenylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1704
Patents

281.08002 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08730 163.9
[M+Na]+ 304.06924 171.0
[M-H]- 280.07274 172.4
[M+NH4]+ 299.11384 179.3
[M+K]+ 320.04318 159.3
[M+H-H2O]+ 264.07728 157.3
[M+HCOO]- 326.07822 180.8
[M+CH3COO]- 340.09387 192.1
[M+Na-2H]- 302.05469 168.6
[M]+ 281.07947 161.3
[M]- 281.08057 161.3
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