CID 22023893

4-hydroxyphenyl nonafluorobutane-1-sulfonate

Structural Information

Molecular Formula
C10H5F9O4S
SMILES
C1=CC(=CC=C1O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F9O4S/c11-7(12,9(15,16)17)8(13,14)10(18,19)24(21,22)23-6-3-1-5(20)2-4-6/h1-4,20H
InChIKey
ODFUDDIRPDIWPT-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

391.97647 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.98375 170.5
[M+Na]+ 414.96569 179.5
[M-H]- 390.96919 161.8
[M+NH4]+ 410.01029 180.7
[M+K]+ 430.93963 175.4
[M+H-H2O]+ 374.97373 158.1
[M+HCOO]- 436.97467 171.9
[M+CH3COO]- 450.99032 210.5
[M+Na-2H]- 412.95114 174.5
[M]+ 391.97592 161.0
[M]- 391.97702 161.0
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