CID 483180

86393-33-1

Structural Information

Molecular Formula
C13H9ClFNO3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)Cl)F)C(=O)O
InChI
InChI=1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)
InChIKey
ISPVACVJFUIDPD-UHFFFAOYSA-N
Compound name
7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

708
Patents

281.0255 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03278 154.7
[M+Na]+ 304.01472 168.1
[M-H]- 280.01822 159.9
[M+NH4]+ 299.05932 166.4
[M+K]+ 319.98866 161.1
[M+H-H2O]+ 264.02276 147.7
[M+HCOO]- 326.02370 169.8
[M+CH3COO]- 340.03935 199.9
[M+Na-2H]- 302.00017 158.2
[M]+ 281.02495 159.7
[M]- 281.02605 159.7
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.