CID 2779203

4-hydroxyphenylsulfur pentafluoride

Structural Information

Molecular Formula
C6H5F5OS
SMILES
C1=CC(=CC=C1O)S(F)(F)(F)(F)F
InChI
InChI=1S/C6H5F5OS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4,12H
InChIKey
XHJLGVIUMCBMHL-UHFFFAOYSA-N
Compound name
4-(pentafluoro-lambda6-sulfanyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

219.99812 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00540 127.2
[M+Na]+ 242.98734 138.0
[M-H]- 218.99084 124.2
[M+NH4]+ 238.03194 145.8
[M+K]+ 258.96128 133.8
[M+H-H2O]+ 202.99538 118.9
[M+HCOO]- 264.99632 139.8
[M+CH3COO]- 279.01197 181.8
[M+Na-2H]- 240.97279 128.6
[M]+ 219.99757 121.7
[M]- 219.99867 121.7
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