CID 50988671

3-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine

Structural Information

Molecular Formula
C11H12F3NO
SMILES
C1C(CC1N)C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)16-10-3-1-7(2-4-10)8-5-9(15)6-8/h1-4,8-9H,5-6,15H2
InChIKey
GYKKKWTZBZQYQF-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0871 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09438 147.5
[M+Na]+ 254.07632 154.0
[M-H]- 230.07982 149.9
[M+NH4]+ 249.12092 158.7
[M+K]+ 270.05026 154.0
[M+H-H2O]+ 214.08436 133.5
[M+HCOO]- 276.08530 165.5
[M+CH3COO]- 290.10095 194.9
[M+Na-2H]- 252.06177 150.8
[M]+ 231.08655 150.3
[M]- 231.08765 150.3
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.