CID 15278593

5-bromo-6-methoxy-1h-indazole

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
COC1=C(C=C2C=NNC2=C1)Br
InChI
InChI=1S/C8H7BrN2O/c1-12-8-3-7-5(2-6(8)9)4-10-11-7/h2-4H,1H3,(H,10,11)
InChIKey
WTPPKDNNECOBGC-UHFFFAOYSA-N
Compound name
5-bromo-6-methoxy-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

189
Patents

225.97418 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98146 137.7
[M+Na]+ 248.96340 152.4
[M-H]- 224.96690 142.2
[M+NH4]+ 244.00800 159.7
[M+K]+ 264.93734 140.9
[M+H-H2O]+ 208.97144 137.8
[M+HCOO]- 270.97238 158.6
[M+CH3COO]- 284.98803 153.6
[M+Na-2H]- 246.94885 147.0
[M]+ 225.97363 158.2
[M]- 225.97473 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe