CID 132344008

2137917-12-3

Structural Information

Molecular Formula
C12H14F3NO
SMILES
C1C(CC1(C(F)(F)F)O)(CN)C2=CC=CC=C2
InChI
InChI=1S/C12H14F3NO/c13-12(14,15)11(17)6-10(7-11,8-16)9-4-2-1-3-5-9/h1-5,17H,6-8,16H2
InChIKey
ZDELQBOOSXFRBU-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-3-phenyl-1-(trifluoromethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.10275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.110026 156.6
[M+Na]+ 268.091968 163.3
[M-H]- 244.095474 158.0
[M+NH4]+ 263.136573 170.2
[M+K]+ 284.065908 162.3
[M+H-H2O]+ 228.100010 144.7
[M+HCOO]- 290.100951 172.7
[M+CH3COO]- 304.116601 193.6
[M+Na-2H]- 266.077416 161.4
[M]+ 245.10220142 158.3
[M]- 245.10329858 158.3
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.