CID 54079384

4-carbamoylbenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula

C₇H₆FNO₃S

SMILES

C1=CC(=CC=C1C(=O)N)S(=O)(=O)F

InChI

InChI=1S/C7H6FNO3S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)

InChIKey

AJKLLTHMUCSOQL-UHFFFAOYSA-N

Compound name

4-carbamoylbenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.00525 Da
Monoisotopic Mass: 0.4
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]+	204.01253	136.5
[M+Na]+	225.99447	145.5
[M-H]-	201.99797	139.0
[M+NH4]+	221.03907	155.3
[M+K]+	241.96841	142.6
[M+H-H2O]+	186.00251	130.1
[M+HCOO]-	248.00345	154.2
[M+CH3COO]-	262.01910	181.9
[M+Na-2H]-	223.97992	140.2
[M]+	203.00470	136.3
[M]-	203.00580	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe