CID 45791743

4-(carbamoylamino)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula

C₇H₇FN₂O₃S

SMILES

C1=CC(=CC=C1NC(=O)N)S(=O)(=O)F

InChI

InChI=1S/C7H7FN2O3S/c8-14(12,13)6-3-1-5(2-4-6)10-7(9)11/h1-4H,(H3,9,10,11)

InChIKey

CIXVJFSPGNLQNF-UHFFFAOYSA-N

Compound name

4-(carbamoylamino)benzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 218.01614 Da
Monoisotopic Mass: 1.6
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]+	219.02342	142.1
[M+Na]+	241.00536	150.2
[M+NH4]+	236.04996	147.9
[M+K]+	256.97930	145.3
[M-H]-	217.00886	141.3
[M+Na-2H]-	238.99081	146.3
[M]+	218.01559	143.0
[M]-	218.01669	143.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.