CID 177799279

6-bromo-2-tert-butyl-2h-indazole

Structural Information

Molecular Formula
C11H13BrN2
SMILES
CC(C)(C)N1C=C2C=CC(=CC2=N1)Br
InChI
InChI=1S/C11H13BrN2/c1-11(2,3)14-7-8-4-5-9(12)6-10(8)13-14/h4-7H,1-3H3
InChIKey
OFDJVCDSMBRMJC-UHFFFAOYSA-N
Compound name
6-bromo-2-tert-butylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02621 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.033486 150.5
[M+Na]+ 275.015428 165.0
[M-H]- 251.018934 156.2
[M+NH4]+ 270.060033 172.5
[M+K]+ 290.989368 153.6
[M+H-H2O]+ 235.023470 150.6
[M+HCOO]- 297.024411 170.1
[M+CH3COO]- 311.040061 191.7
[M+Na-2H]- 273.000876 159.2
[M]+ 252.02566142 171.9
[M]- 252.02675858 171.9
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.