CID 91654570

1803592-91-7

Structural Information

Molecular Formula
C11H12F3N
SMILES
CC1(C2=CC=CC=C2CCN1)C(F)(F)F
InChI
InChI=1S/C11H12F3N/c1-10(11(12,13)14)9-5-3-2-4-8(9)6-7-15-10/h2-5,15H,6-7H2,1H3
InChIKey
HZKBHOOJCXSPRR-UHFFFAOYSA-N
Compound name
1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09218 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.099456 145.4
[M+Na]+ 238.081398 153.6
[M-H]- 214.084904 143.1
[M+NH4]+ 233.126003 165.1
[M+K]+ 254.055338 149.1
[M+H-H2O]+ 198.089440 137.1
[M+HCOO]- 260.090381 158.7
[M+CH3COO]- 274.106031 184.1
[M+Na-2H]- 236.066846 152.4
[M]+ 215.09163142 137.2
[M]- 215.09272858 137.2
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.