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]+ 270.97128 148.2
[M+Na]+ 292.95322 161.9
[M-H]- 268.95672 155.7
[M+NH4]+ 287.99782 167.4
[M+K]+ 308.92716 152.7
[M+H-H2O]+ 252.96126 147.8
[M+HCOO]- 314.96220 169.7
[M+CH3COO]- 328.97785 188.4
[M+Na-2H]- 290.93867 153.4
[M]+ 269.96345 170.4
[M]- 269.96455 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.