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]+ 216.09946 145.4
[M+Na]+ 238.08140 153.6
[M-H]- 214.08490 143.1
[M+NH4]+ 233.12600 165.1
[M+K]+ 254.05534 149.1
[M+H-H2O]+ 198.08944 137.1
[M+HCOO]- 260.09038 158.7
[M+CH3COO]- 274.10603 184.1
[M+Na-2H]- 236.06685 152.4
[M]+ 215.09163 137.2
[M]- 215.09273 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.