CID 84799499

1086392-03-1

Structural Information

Molecular Formula

C₁₂H₁₄FNO₃

SMILES

CC(C)(C)OC(=O)NC1=C(C(=CC=C1)F)C=O

InChI

InChI=1S/C12H14FNO3/c1-12(2,3)17-11(16)14-10-6-4-5-9(13)8(10)7-15/h4-7H,1-3H3,(H,14,16)

InChIKey

IMQRAIIYXDNFTK-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-fluoro-2-formylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 239.09576 Da
Monoisotopic Mass: 2.6
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]+	240.10304	151.1
[M+Na]+	262.08498	159.2
[M-H]-	238.08848	154.0
[M+NH4]+	257.12958	169.0
[M+K]+	278.05892	157.5
[M+H-H2O]+	222.09302	144.5
[M+HCOO]-	284.09396	173.2
[M+CH3COO]-	298.10961	193.8
[M+Na-2H]-	260.07043	155.7
[M]+	239.09521	152.6
[M]-	239.09631	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe