CID 62374768

7-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C12H16FN
SMILES
CC(C)C1C2=C(CCN1)C=CC(=C2)F
InChI
InChI=1S/C12H16FN/c1-8(2)12-11-7-10(13)4-3-9(11)5-6-14-12/h3-4,7-8,12,14H,5-6H2,1-2H3
InChIKey
BZVYNPMWSGMUCJ-UHFFFAOYSA-N
Compound name
7-fluoro-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

193.12668 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.133956 142.8
[M+Na]+ 216.115898 149.6
[M-H]- 192.119404 142.8
[M+NH4]+ 211.160503 161.5
[M+K]+ 232.089838 145.5
[M+H-H2O]+ 176.123940 135.5
[M+HCOO]- 238.124881 158.4
[M+CH3COO]- 252.140531 184.3
[M+Na-2H]- 214.101346 146.9
[M]+ 193.12613142 137.3
[M]- 193.12722858 137.3
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

No patent data available for this compound.