CID 12150703

4-chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile

Structural Information

Molecular Formula
C11H6ClFN2O
SMILES
COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)Cl)F
InChI
InChI=1S/C11H6ClFN2O/c1-16-10-2-7-9(3-8(10)13)15-5-6(4-14)11(7)12/h2-3,5H,1H3
InChIKey
PNVRUIFACIJUKH-UHFFFAOYSA-N
Compound name
4-chloro-7-fluoro-6-methoxyquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

236.01527 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.02255 144.6
[M+Na]+ 259.00449 158.9
[M-H]- 235.00799 146.5
[M+NH4]+ 254.04909 161.8
[M+K]+ 274.97843 152.2
[M+H-H2O]+ 219.01253 131.7
[M+HCOO]- 281.01347 158.7
[M+CH3COO]- 295.02912 202.8
[M+Na-2H]- 256.98994 150.7
[M]+ 236.01472 142.9
[M]- 236.01582 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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