CID 50987515

2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol hydrochloride

Structural Information

Molecular Formula
C10H12F3NO
SMILES
CC(CO)(C1=CC(=CC=C1)C(F)(F)F)N
InChI
InChI=1S/C10H12F3NO/c1-9(14,6-15)7-3-2-4-8(5-7)10(11,12)13/h2-5,15H,6,14H2,1H3
InChIKey
PSTGWKXZTJABFG-UHFFFAOYSA-N
Compound name
2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.0871 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09438 144.6
[M+Na]+ 242.07632 152.3
[M-H]- 218.07982 142.8
[M+NH4]+ 237.12092 162.1
[M+K]+ 258.05026 149.0
[M+H-H2O]+ 202.08436 137.1
[M+HCOO]- 264.08530 161.6
[M+CH3COO]- 278.10095 187.5
[M+Na-2H]- 240.06177 150.0
[M]+ 219.08655 138.3
[M]- 219.08765 138.3
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

patents stripe