CID 114775

1-naphthyl sulfate

Structural Information

Molecular Formula

C₁₀H₈O₄S

SMILES

C1=CC=C2C(=C1)C=CC=C2OS(=O)(=O)O

InChI

InChI=1S/C10H8O4S/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)

InChIKey

FVMQKVNBLZGWAH-UHFFFAOYSA-N

Compound name

naphthalen-1-yl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 25
References: 287
Patents: 224.01433 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.02161	143.5
[M+Na]+	247.00355	156.4
[M+NH4]+	242.04815	151.8
[M+K]+	262.97749	149.0
[M-H]-	223.00705	144.7
[M+Na-2H]-	244.98900	150.0
[M]+	224.01378	146.2
[M]-	224.01488	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe