CID 5210422

93107-30-3

Structural Information

Molecular Formula
C13H9F2NO3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)F)F)C(=O)O
InChI
InChI=1S/C13H9F2NO3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2H2,(H,18,19)
InChIKey
KNEXGVPHPGXAGF-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

647
Patents

265.05505 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06233 153.0
[M+Na]+ 288.04427 165.9
[M-H]- 264.04777 157.2
[M+NH4]+ 283.08887 164.4
[M+K]+ 304.01821 159.8
[M+H-H2O]+ 248.05231 144.2
[M+HCOO]- 310.05325 171.4
[M+CH3COO]- 324.06890 199.0
[M+Na-2H]- 286.02972 156.2
[M]+ 265.05450 154.9
[M]- 265.05560 154.9
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