CID 59222340

1276075-40-1

Structural Information

Molecular Formula
C10H11BrN2
SMILES
CC(C)C1=C2C=C(C=CC2=NN1)Br
InChI
InChI=1S/C10H11BrN2/c1-6(2)10-8-5-7(11)3-4-9(8)12-13-10/h3-6H,1-2H3,(H,12,13)
InChIKey
MCJCHBZWFJDUJH-UHFFFAOYSA-N
Compound name
5-bromo-3-propan-2-yl-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

238.01056 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01784 145.0
[M+Na]+ 260.99978 158.7
[M-H]- 237.00328 149.3
[M+NH4]+ 256.04438 166.5
[M+K]+ 276.97372 146.7
[M+H-H2O]+ 221.00782 145.0
[M+HCOO]- 283.00876 164.1
[M+CH3COO]- 297.02441 160.1
[M+Na-2H]- 258.98523 152.1
[M]+ 238.01001 164.3
[M]- 238.01111 164.3
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