CID 22419368

3-bromo-1-methyl-1h-indazole

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CN1C2=CC=CC=C2C(=N1)Br
InChI
InChI=1S/C8H7BrN2/c1-11-7-5-3-2-4-6(7)8(9)10-11/h2-5H,1H3
InChIKey
NRDWKILCVWZZDP-UHFFFAOYSA-N
Compound name
3-bromo-1-methylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
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 134.0
[M+Na]+ 232.96848 149.4
[M-H]- 208.97198 139.8
[M+NH4]+ 228.01308 157.4
[M+K]+ 248.94242 138.4
[M+H-H2O]+ 192.97652 134.2
[M+HCOO]- 254.97746 156.2
[M+CH3COO]- 268.99311 150.8
[M+Na-2H]- 230.95393 143.9
[M]+ 209.97871 155.0
[M]- 209.97981 155.0
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