CID 69859

2,3,5,6-tetrafluorothiophenol

Structural Information

Molecular Formula
C6H2F4S
SMILES
C1=C(C(=C(C(=C1F)F)S)F)F
InChI
InChI=1S/C6H2F4S/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
InChIKey
IGOGJHYWSOZGAE-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1066
Patents

181.98134 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.98862 122.6
[M+Na]+ 204.97056 135.1
[M-H]- 180.97406 122.7
[M+NH4]+ 200.01516 144.0
[M+K]+ 220.94450 131.4
[M+H-H2O]+ 164.97860 114.5
[M+HCOO]- 226.97954 138.4
[M+CH3COO]- 240.99519 182.0
[M+Na-2H]- 202.95601 124.1
[M]+ 181.98079 120.5
[M]- 181.98189 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe