CID 43123861

1152536-23-6

Structural Information

Molecular Formula
C13H10ClFN2O2
SMILES
C1CC2=C(C1)N(N=C2C(=O)O)C3=C(C=C(C=C3)Cl)F
InChI
InChI=1S/C13H10ClFN2O2/c14-7-4-5-11(9(15)6-7)17-10-3-1-2-8(10)12(16-17)13(18)19/h4-6H,1-3H2,(H,18,19)
InChIKey
AALLNSDDKGMNKD-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.04147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.04875 159.7
[M+Na]+ 303.03069 170.7
[M-H]- 279.03419 163.2
[M+NH4]+ 298.07529 178.1
[M+K]+ 319.00463 164.9
[M+H-H2O]+ 263.03873 152.3
[M+HCOO]- 325.03967 174.1
[M+CH3COO]- 339.05532 171.8
[M+Na-2H]- 301.01614 159.3
[M]+ 280.04092 160.8
[M]- 280.04202 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.