CID 24692028

1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H12F3NO2
SMILES
COC1=C(C=C(C=C1)C(C(F)(F)F)N)OC
InChI
InChI=1S/C10H12F3NO2/c1-15-7-4-3-6(5-8(7)16-2)9(14)10(11,12)13/h3-5,9H,14H2,1-2H3
InChIKey
JJNFDHBWILGMKH-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08202 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08930 147.5
[M+Na]+ 258.07124 155.8
[M-H]- 234.07474 147.2
[M+NH4]+ 253.11584 165.1
[M+K]+ 274.04518 153.9
[M+H-H2O]+ 218.07928 139.2
[M+HCOO]- 280.08022 166.8
[M+CH3COO]- 294.09587 193.7
[M+Na-2H]- 256.05669 150.6
[M]+ 235.08147 144.8
[M]- 235.08257 144.8
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.