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

0
Patents

193.12668 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.13396 142.8
[M+Na]+ 216.11590 149.6
[M-H]- 192.11940 142.8
[M+NH4]+ 211.16050 161.5
[M+K]+ 232.08984 145.5
[M+H-H2O]+ 176.12394 135.5
[M+HCOO]- 238.12488 158.4
[M+CH3COO]- 252.14053 184.3
[M+Na-2H]- 214.10135 146.9
[M]+ 193.12613 137.3
[M]- 193.12723 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.