CID 17750967

187089-27-6

Structural Information

Molecular Formula

C₁₇H₁₆ClNO₄S

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCS(=O)(=O)Cl

InChI

InChI=1S/C17H16ClNO4S/c18-24(21,22)10-9-19-17(20)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,20)

InChIKey

CZYCFUHNECALIP-UHFFFAOYSA-N

Compound name

9H-fluoren-9-ylmethyl N-(2-chlorosulfonylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 365.04886 Da
Monoisotopic Mass: 3.2
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]+	366.05614	182.4
[M+Na]+	388.03808	191.3
[M-H]-	364.04158	188.0
[M+NH4]+	383.08268	200.0
[M+K]+	404.01202	185.8
[M+H-H2O]+	348.04612	177.6
[M+HCOO]-	410.04706	194.9
[M+CH3COO]-	424.06271	210.7
[M+Na-2H]-	386.02353	186.7
[M]+	365.04831	190.7
[M]-	365.04941	190.7

Literature stripe

literature stripe

Patent stripe

patents stripe