CID 59852943

868735-43-7

Structural Information

Molecular Formula

C₁₁H₁₃BrFNO₂

SMILES

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

InChI

InChI=1S/C11H13BrFNO2/c1-11(2,3)16-10(15)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H,14,15)

InChIKey

FQLYUJLJZFATNI-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-bromo-3-fluorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 289.01138 Da
Monoisotopic Mass: 3.3
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]+	290.01866	157.2
[M+Na]+	312.00060	168.2
[M-H]-	288.00410	162.4
[M+NH4]+	307.04520	176.6
[M+K]+	327.97454	157.2
[M+H-H2O]+	272.00864	155.8
[M+HCOO]-	334.00958	176.5
[M+CH3COO]-	348.02523	199.0
[M+Na-2H]-	309.98605	162.7
[M]+	289.01083	175.7
[M]-	289.01193	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe