CID 66998

115-92-4

Structural Information

Molecular Formula

C₈H₁₂NO₆PS

SMILES

COP(=O)(OC)OC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C8H12NO6PS/c1-13-16(10,14-2)15-7-3-5-8(6-4-7)17(9,11)12/h3-6H,1-2H3,(H2,9,11,12)

InChIKey

QFPHHNFKPNIGGX-UHFFFAOYSA-N

Compound name

dimethyl (4-sulfamoylphenyl) phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 281.0123 Da
Monoisotopic Mass: 0.1
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]+	282.01958	154.7
[M+Na]+	304.00152	162.2
[M-H]-	280.00502	157.0
[M+NH4]+	299.04612	170.7
[M+K]+	319.97546	161.4
[M+H-H2O]+	264.00956	146.0
[M+HCOO]-	326.01050	178.7
[M+CH3COO]-	340.02615	195.3
[M+Na-2H]-	301.98697	158.4
[M]+	281.01175	161.1
[M]-	281.01285	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe