CID 51063941

2-acetyl-5-bromo-2h-indazole

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
CC(=O)N1C=C2C=C(C=CC2=N1)Br
InChI
InChI=1S/C9H7BrN2O/c1-6(13)12-5-7-4-8(10)2-3-9(7)11-12/h2-5H,1H3
InChIKey
RYKJIXYJUGUSAX-UHFFFAOYSA-N
Compound name
1-(5-bromoindazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.97418 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98146 143.6
[M+Na]+ 260.96340 148.1
[M+NH4]+ 256.00800 148.4
[M+K]+ 276.93734 149.4
[M-H]- 236.96690 143.3
[M+Na-2H]- 258.94885 146.9
[M]+ 237.97363 143.0
[M]- 237.97473 143.0
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.