CID 9996409

749269-83-8

Structural Information

Molecular Formula
C16H11Cl2FO2
SMILES
C1CC1(C2=CC(=C(C=C2)C3=CC(=C(C=C3)Cl)Cl)F)C(=O)O
InChI
InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)
InChIKey
LIYLTQQDABRNRX-UHFFFAOYSA-N
Compound name
1-[4-(3,4-dichlorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

34
References

374
Patents

324.01202 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.01930 167.4
[M+Na]+ 347.00124 184.0
[M+NH4]+ 342.04584 177.6
[M+K]+ 362.97518 175.6
[M-H]- 323.00474 177.8
[M+Na-2H]- 344.98669 179.5
[M]+ 324.01147 174.6
[M]- 324.01257 174.6
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