CID 118560118

1838158-91-0

Structural Information

Molecular Formula

C₇H₄FNO₄S

SMILES

C1=CC(=CC=C1N=C=O)OS(=O)(=O)F

InChI

InChI=1S/C7H4FNO4S/c8-14(11,12)13-7-3-1-6(2-4-7)9-5-10/h1-4H

InChIKey

OWOOXOXKUACJHT-UHFFFAOYSA-N

Compound name

1-fluorosulfonyloxy-4-isocyanatobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 216.98451 Da
Monoisotopic Mass: 2.8
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]+	217.99179	138.1
[M+Na]+	239.97373	148.1
[M-H]-	215.97723	142.6
[M+NH4]+	235.01833	157.4
[M+K]+	255.94767	145.9
[M+H-H2O]+	199.98177	131.2
[M+HCOO]-	261.98271	159.5
[M+CH3COO]-	275.99836	184.8
[M+Na-2H]-	237.95918	144.5
[M]+	216.98396	142.1
[M]-	216.98506	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe