CID 23233209

1422-41-9

Structural Information

Molecular Formula
C6H4F6S
SMILES
C1=CC(=CC(=C1)S(F)(F)(F)(F)F)F
InChI
InChI=1S/C6H4F6S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H
InChIKey
BHSBZHVAWYGOQS-UHFFFAOYSA-N
Compound name
pentafluoro-(3-fluorophenyl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

221.99379 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.00107 149.9
[M+Na]+ 244.98301 156.1
[M+NH4]+ 240.02761 153.7
[M+K]+ 260.95695 150.1
[M-H]- 220.98651 145.0
[M+Na-2H]- 242.96846 151.8
[M]+ 221.99324 149.4
[M]- 221.99434 149.4
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