CID 914237

312308-99-9

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]+ 270.971276 148.2
[M+Na]+ 292.953218 161.9
[M-H]- 268.956724 155.7
[M+NH4]+ 287.997823 167.4
[M+K]+ 308.927158 152.7
[M+H-H2O]+ 252.961260 147.8
[M+HCOO]- 314.962201 169.7
[M+CH3COO]- 328.977851 188.4
[M+Na-2H]- 290.938666 153.4
[M]+ 269.96345142 170.4
[M]- 269.96454858 170.4
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.