CID 44119450

4-bromo-5-methyl-1h-indazole

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CC1=C(C2=C(C=C1)NN=C2)Br
InChI
InChI=1S/C8H7BrN2/c1-5-2-3-7-6(8(5)9)4-10-11-7/h2-4H,1H3,(H,10,11)
InChIKey
YBLXBXPJJAZHDS-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

209.97926 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 135.0
[M+Na]+ 232.96848 149.8
[M-H]- 208.97198 139.5
[M+NH4]+ 228.01308 157.7
[M+K]+ 248.94242 137.9
[M+H-H2O]+ 192.97652 135.3
[M+HCOO]- 254.97746 155.7
[M+CH3COO]- 268.99311 151.1
[M+Na-2H]- 230.95393 144.3
[M]+ 209.97871 154.2
[M]- 209.97981 154.2
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