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]+ 194.13396 142.0
[M+Na]+ 216.11590 151.1
[M-H]- 192.11940 142.9
[M+NH4]+ 211.16050 163.3
[M+K]+ 232.08984 146.8
[M+H-H2O]+ 176.12394 135.5
[M+HCOO]- 238.12488 158.8
[M+CH3COO]- 252.14053 184.1
[M+Na-2H]- 214.10135 147.8
[M]+ 193.12613 137.9
[M]- 193.12723 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.