CID 535414

1-cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C13H8F3NO3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)F)F)C(=O)O
InChI
InChI=1S/C13H8F3NO3/c14-8-3-6-11(10(16)9(8)15)17(5-1-2-5)4-7(12(6)18)13(19)20/h3-5H,1-2H2,(H,19,20)
InChIKey
NMASXYCNDJMMFR-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

609
Patents

283.04562 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05290 154.5
[M+Na]+ 306.03484 168.2
[M-H]- 282.03834 157.6
[M+NH4]+ 301.07944 165.4
[M+K]+ 322.00878 161.5
[M+H-H2O]+ 266.04288 144.9
[M+HCOO]- 328.04382 171.7
[M+CH3COO]- 342.05947 202.9
[M+Na-2H]- 304.02029 156.5
[M]+ 283.04507 155.7
[M]- 283.04617 155.7
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