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

15
Patents

219.0871 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09438 145.0
[M+Na]+ 242.07632 152.0
[M-H]- 218.07982 142.8
[M+NH4]+ 237.12092 162.2
[M+K]+ 258.05026 148.6
[M+H-H2O]+ 202.08436 136.9
[M+HCOO]- 264.08530 162.5
[M+CH3COO]- 278.10095 187.9
[M+Na-2H]- 240.06177 148.2
[M]+ 219.08655 138.6
[M]- 219.08765 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