CID 121553660

8-chloro-6-fluoro-5-methyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C10H11ClFN
SMILES
CC1=C2CCCNC2=C(C=C1F)Cl
InChI
InChI=1S/C10H11ClFN/c1-6-7-3-2-4-13-10(7)8(11)5-9(6)12/h5,13H,2-4H2,1H3
InChIKey
XYYDZBJOMWDEMD-UHFFFAOYSA-N
Compound name
8-chloro-6-fluoro-5-methyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05641 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.063686 139.0
[M+Na]+ 222.045628 148.7
[M-H]- 198.049134 139.4
[M+NH4]+ 217.090233 158.7
[M+K]+ 238.019568 142.8
[M+H-H2O]+ 182.053670 132.9
[M+HCOO]- 244.054611 151.8
[M+CH3COO]- 258.070261 151.3
[M+Na-2H]- 220.031076 144.3
[M]+ 199.05586142 135.9
[M]- 199.05695858 135.9
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.