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

0
Patents

245.10275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11003 156.6
[M+Na]+ 268.09197 163.3
[M-H]- 244.09547 158.0
[M+NH4]+ 263.13657 170.2
[M+K]+ 284.06591 162.3
[M+H-H2O]+ 228.10001 144.7
[M+HCOO]- 290.10095 172.7
[M+CH3COO]- 304.11660 193.6
[M+Na-2H]- 266.07742 161.4
[M]+ 245.10220 158.3
[M]- 245.10330 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.