CID 57810197

849217-60-3

Structural Information

Molecular Formula
C17H15FN2O3
SMILES
C1CC1(C(=O)NC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN2O3/c18-11-1-3-12(4-2-11)19-15(22)17(9-10-17)16(23)20-13-5-7-14(21)8-6-13/h1-8,21H,9-10H2,(H,19,22)(H,20,23)
InChIKey
FSFMBVMXIPQPMJ-UHFFFAOYSA-N
Compound name
1-N'-(4-fluorophenyl)-1-N-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

314.10666 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11394 174.0
[M+Na]+ 337.09588 185.5
[M+NH4]+ 332.14048 181.8
[M+K]+ 353.06982 179.6
[M-H]- 313.09938 184.2
[M+Na-2H]- 335.08133 184.8
[M]+ 314.10611 179.4
[M]- 314.10721 179.4
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