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]+ 214.10381 143.5
[M+Na]+ 236.08575 150.2
[M-H]- 212.08925 144.5
[M+NH4]+ 231.13035 162.7
[M+K]+ 252.05969 147.1
[M+H-H2O]+ 196.09379 135.6
[M+HCOO]- 258.09473 161.8
[M+CH3COO]- 272.11038 190.2
[M+Na-2H]- 234.07120 147.3
[M]+ 213.09598 137.6
[M]- 213.09708 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.