CID 24266065

2-chloro-7-fluoroquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H5ClFNO2
SMILES
C1=CC(=CC2=NC(=C(C=C21)C(=O)O)Cl)F
InChI
InChI=1S/C10H5ClFNO2/c11-9-7(10(14)15)3-5-1-2-6(12)4-8(5)13-9/h1-4H,(H,14,15)
InChIKey
MHGHQQPGIMHFEW-UHFFFAOYSA-N
Compound name
2-chloro-7-fluoroquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.99928 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.006556 140.0
[M+Na]+ 247.988498 151.6
[M-H]- 223.992004 141.3
[M+NH4]+ 243.033103 158.6
[M+K]+ 263.962438 146.4
[M+H-H2O]+ 207.996540 133.8
[M+HCOO]- 269.997481 155.3
[M+CH3COO]- 284.013131 185.9
[M+Na-2H]- 245.973946 146.3
[M]+ 224.99873142 141.5
[M]- 224.99982858 141.5
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