CID 84715314

1352532-36-5

Structural Information

Molecular Formula
C10H9BrN2O3
SMILES
CN1C2=C(C=C(C=C2)Br)C(=N1)OCC(=O)O
InChI
InChI=1S/C10H9BrN2O3/c1-13-8-3-2-6(11)4-7(8)10(12-13)16-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKey
ASWFDALSWSNHEP-UHFFFAOYSA-N
Compound name
2-(5-bromo-1-methylindazol-3-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.97964 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.98692 151.0
[M+Na]+ 306.96886 165.0
[M-H]- 282.97236 155.5
[M+NH4]+ 302.01346 170.5
[M+K]+ 322.94280 154.1
[M+H-H2O]+ 266.97690 150.5
[M+HCOO]- 328.97784 170.6
[M+CH3COO]- 342.99349 193.6
[M+Na-2H]- 304.95431 157.5
[M]+ 283.97909 173.8
[M]- 283.98019 173.8
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.