CID 79983050

2138271-67-5

Structural Information

Molecular Formula

C₁₀H₁₂FNO

SMILES

CNC1CCOC2=C1C=CC(=C2)F

InChI

InChI=1S/C10H12FNO/c1-12-9-4-5-13-10-6-7(11)2-3-8(9)10/h2-3,6,9,12H,4-5H2,1H3

InChIKey

ZWKCVZYZVWNJIP-UHFFFAOYSA-N

Compound name

7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 181.09029 Da
Monoisotopic Mass: 1.5
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]+	182.097566	135.4
[M+Na]+	204.079508	143.0
[M-H]-	180.083014	139.3
[M+NH4]+	199.124113	155.2
[M+K]+	220.053448	141.4
[M+H-H2O]+	164.087550	128.6
[M+HCOO]-	226.088491	156.0
[M+CH3COO]-	240.104141	184.2
[M+Na-2H]-	202.064956	143.6
[M]+	181.08974142	132.6
[M]-	181.09083858	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe