CID 116468868

1773644-53-3

Structural Information

Molecular Formula
C14H13FN2O2
SMILES
CC1=C(C(=CC=C1)F)N2C3=C(CCC3)C(=N2)C(=O)O
InChI
InChI=1S/C14H13FN2O2/c1-8-4-2-6-10(15)13(8)17-11-7-3-5-9(11)12(16-17)14(18)19/h2,4,6H,3,5,7H2,1H3,(H,18,19)
InChIKey
YJBXPAYSTKVUFA-UHFFFAOYSA-N
Compound name
1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0961 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10338 159.2
[M+Na]+ 283.08532 170.2
[M+NH4]+ 278.12992 166.0
[M+K]+ 299.05926 168.4
[M-H]- 259.08882 159.4
[M+Na-2H]- 281.07077 163.0
[M]+ 260.09555 160.5
[M]- 260.09665 160.5
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.