CID 25017608

5-(4-hydroxyphenyl)pentanesulfonyl fluoride

Structural Information

Molecular Formula
C11H15FO3S
SMILES
C1=CC(=CC=C1CCCCCS(=O)(=O)F)O
InChI
InChI=1S/C11H15FO3S/c12-16(14,15)9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8,13H,1-4,9H2
InChIKey
VCCAJGFVUCFGSD-UHFFFAOYSA-N
Compound name
5-(4-hydroxyphenyl)pentane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

19
Patents

246.07259 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07987 151.4
[M+Na]+ 269.06181 159.2
[M-H]- 245.06531 152.3
[M+NH4]+ 264.10641 168.7
[M+K]+ 285.03575 155.1
[M+H-H2O]+ 229.06985 144.8
[M+HCOO]- 291.07079 166.9
[M+CH3COO]- 305.08644 187.2
[M+Na-2H]- 267.04726 154.3
[M]+ 246.07204 153.9
[M]- 246.07314 153.9
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