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]+ 284.986916 151.0
[M+Na]+ 306.968858 165.0
[M-H]- 282.972364 155.5
[M+NH4]+ 302.013463 170.5
[M+K]+ 322.942798 154.1
[M+H-H2O]+ 266.976900 150.5
[M+HCOO]- 328.977841 170.6
[M+CH3COO]- 342.993491 193.6
[M+Na-2H]- 304.954306 157.5
[M]+ 283.97909142 173.8
[M]- 283.98018858 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.