CID 130018034

1822767-05-4

Structural Information

Molecular Formula

C₇H₈FNO₃S

SMILES

COC1=C(C=CC(=C1)N)S(=O)(=O)F

InChI

InChI=1S/C7H8FNO3S/c1-12-6-4-5(9)2-3-7(6)13(8,10)11/h2-4H,9H2,1H3

InChIKey

YOZUWQKELKKVRD-UHFFFAOYSA-N

Compound name

4-amino-2-methoxybenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.02089 Da
Monoisotopic Mass: 0.6
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]+	206.02817	137.0
[M+Na]+	228.01011	146.9
[M-H]-	204.01361	139.8
[M+NH4]+	223.05471	156.3
[M+K]+	243.98405	144.1
[M+H-H2O]+	188.01815	130.7
[M+HCOO]-	250.01909	155.6
[M+CH3COO]-	264.03474	183.1
[M+Na-2H]-	225.99556	141.1
[M]+	205.02034	138.5
[M]-	205.02144	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.