CID 5232216

199335-36-9

Structural Information

Molecular Formula

C₁₁H₁₄FNO

SMILES

CC1(CC(C2=C(O1)C=CC(=C2)F)N)C

InChI

InChI=1S/C11H14FNO/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5,9H,6,13H2,1-2H3

InChIKey

LLWCBPNSRBRTGN-UHFFFAOYSA-N

Compound name

6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 195.10594 Da
Monoisotopic Mass: 1.6
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]+	196.11322	140.5
[M+Na]+	218.09516	149.7
[M-H]-	194.09866	144.4
[M+NH4]+	213.13976	161.8
[M+K]+	234.06910	147.7
[M+H-H2O]+	178.10320	134.3
[M+HCOO]-	240.10414	160.1
[M+CH3COO]-	254.11979	187.3
[M+Na-2H]-	216.08061	147.4
[M]+	195.10539	137.8
[M]-	195.10649	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe