CID 83970422

7-methoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C11H12F3NO
SMILES
COC1=CC2=C(CCNC2C(F)(F)F)C=C1
InChI
InChI=1S/C11H12F3NO/c1-16-8-3-2-7-4-5-15-10(9(7)6-8)11(12,13)14/h2-3,6,10,15H,4-5H2,1H3
InChIKey
UPUDIDJLCSCLIM-UHFFFAOYSA-N
Compound name
7-methoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0871 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.094376 148.3
[M+Na]+ 254.076318 156.3
[M-H]- 230.079824 145.9
[M+NH4]+ 249.120923 165.5
[M+K]+ 270.050258 152.0
[M+H-H2O]+ 214.084360 139.5
[M+HCOO]- 276.085301 161.7
[M+CH3COO]- 290.100951 187.7
[M+Na-2H]- 252.061766 153.6
[M]+ 231.08655142 141.6
[M]- 231.08764858 141.6
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

No patent data available for this compound.