CID 16776233

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

Structural Information

Molecular Formula
C13H11BrN2O2
SMILES
C1CC2=C(C1)N(N=C2C(=O)O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C13H11BrN2O2/c14-8-3-1-4-9(7-8)16-11-6-2-5-10(11)12(15-16)13(17)18/h1,3-4,7H,2,5-6H2,(H,17,18)
InChIKey
GGFYZEOQSFWAJG-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

306.0004 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.00768 163.7
[M+Na]+ 328.98962 175.9
[M-H]- 304.99312 170.9
[M+NH4]+ 324.03422 183.7
[M+K]+ 344.96356 164.6
[M+H-H2O]+ 288.99766 163.3
[M+HCOO]- 350.99860 181.8
[M+CH3COO]- 365.01425 177.5
[M+Na-2H]- 326.97507 166.0
[M]+ 305.99985 182.0
[M]- 306.00095 182.0
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

patents stripe