CID 2736555

2-chloro-5-fluoro-3,8-dimethylquinoline

Structural Information

Molecular Formula
C11H9ClFN
SMILES
CC1=C2C(=C(C=C1)F)C=C(C(=N2)Cl)C
InChI
InChI=1S/C11H9ClFN/c1-6-3-4-9(13)8-5-7(2)11(12)14-10(6)8/h3-5H,1-2H3
InChIKey
VHZSLPPYDBJXMQ-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoro-3,8-dimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

209.04076 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04804 139.4
[M+Na]+ 232.02998 152.1
[M-H]- 208.03348 142.1
[M+NH4]+ 227.07458 159.9
[M+K]+ 248.00392 146.5
[M+H-H2O]+ 192.03802 133.0
[M+HCOO]- 254.03896 156.2
[M+CH3COO]- 268.05461 153.5
[M+Na-2H]- 230.01543 146.0
[M]+ 209.04021 141.8
[M]- 209.04131 141.8
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

patents stripe