CID 6481304

2-(2-fluorophenyl)sulfanyl-8-hydroxy-naphthalene-1,4-dione

Structural Information

Molecular Formula
C16H9FO3S
SMILES
C1=CC=C(C(=C1)F)SC2=CC(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C16H9FO3S/c17-10-5-1-2-7-13(10)21-14-8-12(19)9-4-3-6-11(18)15(9)16(14)20/h1-8,18H
InChIKey
URVDZCHVZFVSRU-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)sulfanyl-8-hydroxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.02563 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.03291 162.2
[M+Na]+ 323.01485 172.9
[M-H]- 299.01835 168.1
[M+NH4]+ 318.05945 178.6
[M+K]+ 338.98879 166.7
[M+H-H2O]+ 283.02289 154.5
[M+HCOO]- 345.02383 177.6
[M+CH3COO]- 359.03948 174.2
[M+Na-2H]- 321.00030 164.6
[M]+ 300.02508 163.8
[M]- 300.02618 163.8
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

No patent data available for this compound.