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]+ 196.11322 140.1
[M+Na]+ 218.09516 148.1
[M-H]- 194.09866 142.9
[M+NH4]+ 213.13976 160.6
[M+K]+ 234.06910 145.0
[M+H-H2O]+ 178.10320 133.4
[M+HCOO]- 240.10414 160.6
[M+CH3COO]- 254.11979 187.8
[M+Na-2H]- 216.08061 145.1
[M]+ 195.10539 136.4
[M]- 195.10649 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.