CID 2766214

3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol

Structural Information

Molecular Formula
C10H12F3NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(CCO)N
InChI
InChI=1S/C10H12F3NO/c11-10(12,13)8-3-1-2-7(6-8)9(14)4-5-15/h1-3,6,9,15H,4-5,14H2
InChIKey
AITWXNLDCLFQPJ-UHFFFAOYSA-N
Compound name
3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

219.0871 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.094376 145.0
[M+Na]+ 242.076318 152.0
[M-H]- 218.079824 142.8
[M+NH4]+ 237.120923 162.2
[M+K]+ 258.050258 148.6
[M+H-H2O]+ 202.084360 136.9
[M+HCOO]- 264.085301 162.5
[M+CH3COO]- 278.100951 187.9
[M+Na-2H]- 240.061766 148.2
[M]+ 219.08655142 138.6
[M]- 219.08764858 138.6
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