CID 46473

1-naphthylamine, 1,2,3,4-tetrahydro-8-fluoro-5-methoxy-, hydrochloride

Structural Information

Molecular Formula
C11H14FNO
SMILES
COC1=C2CCCC(C2=C(C=C1)F)N
InChI
InChI=1S/C11H14FNO/c1-14-10-6-5-8(12)11-7(10)3-2-4-9(11)13/h5-6,9H,2-4,13H2,1H3
InChIKey
CZYNQARLKJBXID-UHFFFAOYSA-N
Compound name
8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10594 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.113216 140.1
[M+Na]+ 218.095158 148.1
[M-H]- 194.098664 142.9
[M+NH4]+ 213.139763 160.6
[M+K]+ 234.069098 145.0
[M+H-H2O]+ 178.103200 133.4
[M+HCOO]- 240.104141 160.6
[M+CH3COO]- 254.119791 187.8
[M+Na-2H]- 216.080606 145.1
[M]+ 195.10539142 136.4
[M]- 195.10648858 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.