CID 155821485

2445793-70-2

Structural Information

Molecular Formula
C12H15F2NO2
SMILES
C1COCCC1(C2=CC(=CC=C2)OC(F)F)N
InChI
InChI=1S/C12H15F2NO2/c13-11(14)17-10-3-1-2-9(8-10)12(15)4-6-16-7-5-12/h1-3,8,11H,4-7,15H2
InChIKey
RMCTUPSMPSASHJ-UHFFFAOYSA-N
Compound name
4-[3-(difluoromethoxy)phenyl]oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10709 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11437 153.1
[M+Na]+ 266.09631 158.5
[M-H]- 242.09981 156.7
[M+NH4]+ 261.14091 170.1
[M+K]+ 282.07025 157.1
[M+H-H2O]+ 226.10435 144.4
[M+HCOO]- 288.10529 170.6
[M+CH3COO]- 302.12094 192.3
[M+Na-2H]- 264.08176 157.3
[M]+ 243.10654 146.8
[M]- 243.10764 146.8
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.