CID 54759242

2-(6-bromo-1h-indazol-3-yl)acetic acid

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
C1=CC2=C(NN=C2C=C1Br)CC(=O)O
InChI
InChI=1S/C9H7BrN2O2/c10-5-1-2-6-7(3-5)11-12-8(6)4-9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKey
DSKLTNRDAAYQDC-UHFFFAOYSA-N
Compound name
2-(6-bromo-2H-indazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

253.96909 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.976366 145.1
[M+Na]+ 276.958308 158.5
[M-H]- 252.961814 148.1
[M+NH4]+ 272.002913 165.0
[M+K]+ 292.932248 146.4
[M+H-H2O]+ 236.966350 145.0
[M+HCOO]- 298.967291 163.5
[M+CH3COO]- 312.982941 185.4
[M+Na-2H]- 274.943756 152.2
[M]+ 253.96854142 164.2
[M]- 253.96963858 164.2
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