CID 45480185

1-acetyl-4-bromo-1h-indazole

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
CC(=O)N1C2=C(C=N1)C(=CC=C2)Br
InChI
InChI=1S/C9H7BrN2O/c1-6(13)12-9-4-2-3-8(10)7(9)5-11-12/h2-5H,1H3
InChIKey
MZBRBDKGAIDUPD-UHFFFAOYSA-N
Compound name
1-(4-bromoindazol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

237.97418 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.981456 141.0
[M+Na]+ 260.963398 155.7
[M-H]- 236.966904 146.8
[M+NH4]+ 256.008003 163.1
[M+K]+ 276.937338 144.8
[M+H-H2O]+ 220.971440 140.9
[M+HCOO]- 282.972381 162.2
[M+CH3COO]- 296.988031 187.6
[M+Na-2H]- 258.948846 149.1
[M]+ 237.97363142 162.3
[M]- 237.97472858 162.3
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