CID 75481123

7-fluoro-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline hydrochloride

Structural Information

Molecular Formula
C12H16FN
SMILES
CC1CC(NC2=C1C=CC(=C2)F)(C)C
InChI
InChI=1S/C12H16FN/c1-8-7-12(2,3)14-11-6-9(13)4-5-10(8)11/h4-6,8,14H,7H2,1-3H3
InChIKey
YSWZQEZZAZXWAM-UHFFFAOYSA-N
Compound name
7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.12668 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.133956 142.0
[M+Na]+ 216.115898 151.1
[M-H]- 192.119404 142.9
[M+NH4]+ 211.160503 163.3
[M+K]+ 232.089838 146.8
[M+H-H2O]+ 176.123940 135.5
[M+HCOO]- 238.124881 158.8
[M+CH3COO]- 252.140531 184.1
[M+Na-2H]- 214.101346 147.8
[M]+ 193.12613142 137.9
[M]- 193.12722858 137.9
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.