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]+ 284.96694 151.1
[M+Na]+ 306.94888 164.4
[M-H]- 282.95238 156.3
[M+NH4]+ 301.99348 169.3
[M+K]+ 322.92282 152.6
[M+H-H2O]+ 266.95692 149.3
[M+HCOO]- 328.95786 169.8
[M+CH3COO]- 342.97351 192.7
[M+Na-2H]- 304.93433 155.4
[M]+ 283.95911 169.1
[M]- 283.96021 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.