CID 84708363

2-(6-bromo-1h-indazol-1-yl)acetic acid

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
C1=CC2=C(C=C1Br)N(N=C2)CC(=O)O
InChI
InChI=1S/C9H7BrN2O2/c10-7-2-1-6-4-11-12(5-9(13)14)8(6)3-7/h1-4H,5H2,(H,13,14)
InChIKey
DGKFCMHNOGNQSD-UHFFFAOYSA-N
Compound name
2-(6-bromoindazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.96909 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.976366 144.2
[M+Na]+ 276.958308 158.2
[M-H]- 252.961814 148.6
[M+NH4]+ 272.002913 164.8
[M+K]+ 292.932248 146.9
[M+H-H2O]+ 236.966350 144.0
[M+HCOO]- 298.967291 164.2
[M+CH3COO]- 312.982941 187.8
[M+Na-2H]- 274.943756 151.9
[M]+ 253.96854142 165.1
[M]- 253.96963858 165.1
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

patents stripe