CID 11732152

194805-07-7

Structural Information

Molecular Formula
C16H14BrF2NO4
SMILES
CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC(F)F)Br)C3CC3
InChI
InChI=1S/C16H14BrF2NO4/c1-2-23-15(22)10-7-20(8-3-4-8)12-9(13(10)21)5-6-11(17)14(12)24-16(18)19/h5-8,16H,2-4H2,1H3
InChIKey
ZVUUANRFLJIZGV-UHFFFAOYSA-N
Compound name
ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

401.00742 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.01470 176.7
[M+Na]+ 423.99664 180.1
[M+NH4]+ 419.04124 179.1
[M+K]+ 439.97058 181.7
[M-H]- 400.00014 180.3
[M+Na-2H]- 421.98209 179.3
[M]+ 401.00687 177.8
[M]- 401.00797 177.8
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