CID 47002535

6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

Structural Information

Molecular Formula
C11H13F2NO
SMILES
C1CC(C2=C(C1)C=C(C=C2)OC(F)F)N
InChI
InChI=1S/C11H13F2NO/c12-11(13)15-8-4-5-9-7(6-8)2-1-3-10(9)14/h4-6,10-11H,1-3,14H2
InChIKey
FGDTVOVCPPLKHK-UHFFFAOYSA-N
Compound name
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09653 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.103806 143.5
[M+Na]+ 236.085748 150.2
[M-H]- 212.089254 144.5
[M+NH4]+ 231.130353 162.7
[M+K]+ 252.059688 147.1
[M+H-H2O]+ 196.093790 135.6
[M+HCOO]- 258.094731 161.8
[M+CH3COO]- 272.110381 190.2
[M+Na-2H]- 234.071196 147.3
[M]+ 213.09598142 137.6
[M]- 213.09707858 137.6
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.