CID 43479110

4-bromo-1-(4-fluorophenyl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H6BrFN2O2
SMILES
C1=CC(=CC=C1N2C=C(C(=N2)C(=O)O)Br)F
InChI
InChI=1S/C10H6BrFN2O2/c11-8-5-14(13-9(8)10(15)16)7-3-1-6(12)2-4-7/h1-5H,(H,15,16)
InChIKey
SFVBKMGQINVBER-UHFFFAOYSA-N
Compound name
4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.95966 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.966936 151.1
[M+Na]+ 306.948878 164.4
[M-H]- 282.952384 156.3
[M+NH4]+ 301.993483 169.3
[M+K]+ 322.922818 152.6
[M+H-H2O]+ 266.956920 149.3
[M+HCOO]- 328.957861 169.8
[M+CH3COO]- 342.973511 192.7
[M+Na-2H]- 304.934326 155.4
[M]+ 283.95911142 169.1
[M]- 283.96020858 169.1
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.