CID 28974091

1-(2-fluoro-4-methylphenyl)-1h,4h,5h,6h-cyclopenta[c]pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C14H13FN2O2
SMILES
CC1=CC(=C(C=C1)N2C3=C(CCC3)C(=N2)C(=O)O)F
InChI
InChI=1S/C14H13FN2O2/c1-8-5-6-12(10(15)7-8)17-11-4-2-3-9(11)13(16-17)14(18)19/h5-7H,2-4H2,1H3,(H,18,19)
InChIKey
JVVJFPDQLRMQET-UHFFFAOYSA-N
Compound name
1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]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]+ 261.103376 157.1
[M+Na]+ 283.085318 166.9
[M-H]- 259.088824 160.7
[M+NH4]+ 278.129923 175.5
[M+K]+ 299.059258 162.5
[M+H-H2O]+ 243.093360 149.4
[M+HCOO]- 305.094301 175.9
[M+CH3COO]- 319.109951 169.3
[M+Na-2H]- 281.070766 156.7
[M]+ 260.09555142 156.5
[M]- 260.09664858 156.5
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.