CID 44603659

1-benzyloxy-4-(pentafluorosulfanyl)benzene

Structural Information

Molecular Formula
C13H11F5OS
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)S(F)(F)(F)(F)F
InChI
InChI=1S/C13H11F5OS/c14-20(15,16,17,18)13-8-6-12(7-9-13)19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
LWURBRFWJLITKB-UHFFFAOYSA-N
Compound name
pentafluoro-(4-phenylmethoxyphenyl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

310.04507 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.05235 162.2
[M+Na]+ 333.03429 170.5
[M+NH4]+ 328.07889 166.8
[M+K]+ 349.00823 163.0
[M-H]- 309.03779 159.8
[M+Na-2H]- 331.01974 166.9
[M]+ 310.04452 162.8
[M]- 310.04562 162.8
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

patents stripe