CID 16227433

1-(4-fluorophenyl)-1h,4h,5h,6h,7h,8h-cyclohepta[c]pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C15H15FN2O2
SMILES
C1CCC2=C(CC1)N(N=C2C(=O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C15H15FN2O2/c16-10-6-8-11(9-7-10)18-13-5-3-1-2-4-12(13)14(17-18)15(19)20/h6-9H,1-5H2,(H,19,20)
InChIKey
PLMBWLDNELWLAJ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.11176 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11904 158.3
[M+Na]+ 297.10098 164.8
[M-H]- 273.10448 162.1
[M+NH4]+ 292.14558 172.9
[M+K]+ 313.07492 164.1
[M+H-H2O]+ 257.10902 149.7
[M+HCOO]- 319.10996 174.2
[M+CH3COO]- 333.12561 168.6
[M+Na-2H]- 295.08643 159.8
[M]+ 274.11121 152.5
[M]- 274.11231 152.5
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.