CID 28974111

1038738-52-1

Structural Information

Molecular Formula
C14H13FN2O2
SMILES
CC1=CC(=C(C=C1)F)N2C3=C(CCC3)C(=N2)C(=O)O
InChI
InChI=1S/C14H13FN2O2/c1-8-5-6-10(15)12(7-8)17-11-4-2-3-9(11)13(16-17)14(18)19/h5-7H,2-4H2,1H3,(H,18,19)
InChIKey
TWUOGMWQTGNMMB-UHFFFAOYSA-N
Compound name
1-(2-fluoro-5-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 157.1
[M+Na]+ 283.08532 166.9
[M-H]- 259.08882 160.7
[M+NH4]+ 278.12992 175.5
[M+K]+ 299.05926 162.5
[M+H-H2O]+ 243.09336 149.4
[M+HCOO]- 305.09430 175.9
[M+CH3COO]- 319.10995 169.3
[M+Na-2H]- 281.07077 156.7
[M]+ 260.09555 156.5
[M]- 260.09665 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.