CID 914237

5-[(4-bromo-1h-pyrazol-1-yl)methyl]-2-furoic acid

Structural Information

Molecular Formula
C9H7BrN2O3
SMILES
C1=C(OC(=C1)C(=O)O)CN2C=C(C=N2)Br
InChI
InChI=1S/C9H7BrN2O3/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14)
InChIKey
MWZJSLYKHKNNFV-UHFFFAOYSA-N
Compound name
5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.964 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.97128 156.0
[M+Na]+ 292.95322 158.6
[M+NH4]+ 287.99782 158.9
[M+K]+ 308.92716 163.1
[M-H]- 268.95672 156.1
[M+Na-2H]- 290.93867 157.8
[M]+ 269.96345 155.0
[M]- 269.96455 155.0
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

No patent data available for this compound.