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

667
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

literature stripe

Patent stripe

patents stripe