CID 68289416

Ipflufenoquin

Structural Information

Molecular Formula
C19H16F3NO2
SMILES
CC1=C(C=C2C=CC(=C(C2=N1)F)F)OC3=C(C(=CC=C3)F)C(C)(C)O
InChI
InChI=1S/C19H16F3NO2/c1-10-15(9-11-7-8-13(21)17(22)18(11)23-10)25-14-6-4-5-12(20)16(14)19(2,3)24/h4-9,24H,1-3H3
InChIKey
DSXOWZNZGWXWMX-UHFFFAOYSA-N
Compound name
2-[2-(7,8-difluoro-2-methylquinolin-3-yl)oxy-6-fluorophenyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4626
Patents

347.1133 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12058 181.1
[M+Na]+ 370.10252 192.4
[M-H]- 346.10602 183.3
[M+NH4]+ 365.14712 194.1
[M+K]+ 386.07646 186.0
[M+H-H2O]+ 330.11056 170.2
[M+HCOO]- 392.11150 196.0
[M+CH3COO]- 406.12715 214.5
[M+Na-2H]- 368.08797 183.6
[M]+ 347.11275 180.7
[M]- 347.11385 180.7
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