CID 51354889

1237535-77-1

Structural Information

Molecular Formula

C₁₀H₁₂FIN₂O₂

SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1I)F

InChI

InChI=1S/C10H12FIN2O2/c1-10(2,3)16-9(15)14-8-7(12)6(11)4-5-13-8/h4-5H,1-3H3,(H,13,14,15)

InChIKey

PUWIRYZSDQKVII-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-fluoro-3-iodopyridin-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 337.99274 Da
Monoisotopic Mass: 2.5
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]+	339.00002	160.8
[M+Na]+	360.98196	162.0
[M-H]-	336.98546	155.4
[M+NH4]+	356.02656	172.9
[M+K]+	376.95590	166.1
[M+H-H2O]+	320.99000	149.8
[M+HCOO]-	382.99094	176.4
[M+CH3COO]-	397.00659	199.9
[M+Na-2H]-	358.96741	153.5
[M]+	337.99219	158.7
[M]-	337.99329	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe