CID 112706875

1314697-80-7

Structural Information

Molecular Formula
C11H12F3NO
SMILES
C1CC(C1)(C2=CC=C(C=C2)OC(F)(F)F)N
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)16-9-4-2-8(3-5-9)10(15)6-1-7-10/h2-5H,1,6-7,15H2
InChIKey
JEJLXNLECOMLBX-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

231.0871 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.094376 149.1
[M+Na]+ 254.076318 155.7
[M-H]- 230.079824 151.6
[M+NH4]+ 249.120923 162.0
[M+K]+ 270.050258 155.7
[M+H-H2O]+ 214.084360 136.1
[M+HCOO]- 276.085301 167.1
[M+CH3COO]- 290.100951 193.4
[M+Na-2H]- 252.061766 154.1
[M]+ 231.08655142 151.9
[M]- 231.08764858 151.9
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

patents stripe