CID 177800479

Tert-butyl n-{[2-(fluorosulfonyl)phenyl]methyl}carbamate

Structural Information

Molecular Formula

C₁₂H₁₆FNO₄S

SMILES

CC(C)(C)OC(=O)NCC1=CC=CC=C1S(=O)(=O)F

InChI

InChI=1S/C12H16FNO4S/c1-12(2,3)18-11(15)14-8-9-6-4-5-7-10(9)19(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)

InChIKey

YWVOQHGWMNZAQQ-UHFFFAOYSA-N

Compound name

tert-butyl N-[(2-fluorosulfonylphenyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.0784 Da
Monoisotopic Mass: 2.2
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]+	290.085676	162.3
[M+Na]+	312.067618	169.4
[M-H]-	288.071124	164.7
[M+NH4]+	307.112223	178.1
[M+K]+	328.041558	166.9
[M+H-H2O]+	272.075660	155.3
[M+HCOO]-	334.076601	177.7
[M+CH3COO]-	348.092251	198.1
[M+Na-2H]-	310.053066	165.9
[M]+	289.07785142	165.5
[M]-	289.07894858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.