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

1
Patents

224.99928 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.00656 140.0
[M+Na]+ 247.98850 151.6
[M-H]- 223.99200 141.3
[M+NH4]+ 243.03310 158.6
[M+K]+ 263.96244 146.4
[M+H-H2O]+ 207.99654 133.8
[M+HCOO]- 269.99748 155.3
[M+CH3COO]- 284.01313 185.9
[M+Na-2H]- 245.97395 146.3
[M]+ 224.99873 141.5
[M]- 224.99983 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