CID 72207786

3-bromo-2-methyl-2h-indazole

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CN1C(=C2C=CC=CC2=N1)Br
InChI
InChI=1S/C8H7BrN2/c1-11-8(9)6-4-2-3-5-7(6)10-11/h2-5H,1H3
InChIKey
UWXIGNYYDSUWOH-UHFFFAOYSA-N
Compound name
3-bromo-2-methylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

209.97926 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.986536 134.0
[M+Na]+ 232.968478 149.4
[M-H]- 208.971984 139.8
[M+NH4]+ 228.013083 157.4
[M+K]+ 248.942418 138.4
[M+H-H2O]+ 192.976520 134.2
[M+HCOO]- 254.977461 156.2
[M+CH3COO]- 268.993111 150.8
[M+Na-2H]- 230.953926 143.9
[M]+ 209.97871142 155.0
[M]- 209.97980858 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

No literature data available for this compound.

Patent stripe

patents stripe