CID 80133737

1909288-49-8

Structural Information

Molecular Formula
C11H12F3NO
SMILES
C1C(CC1N)C2=CC(=CC=C2)OC(F)(F)F
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)16-10-3-1-2-7(6-10)8-4-9(15)5-8/h1-3,6,8-9H,4-5,15H2
InChIKey
QFLYGBCWLKOUTA-UHFFFAOYSA-N
Compound name
3-[3-(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]+ 232.094376 147.5
[M+Na]+ 254.076318 154.0
[M-H]- 230.079824 149.9
[M+NH4]+ 249.120923 158.7
[M+K]+ 270.050258 154.0
[M+H-H2O]+ 214.084360 133.5
[M+HCOO]- 276.085301 165.5
[M+CH3COO]- 290.100951 194.9
[M+Na-2H]- 252.061766 150.8
[M]+ 231.08655142 150.3
[M]- 231.08764858 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.