CID 24729305

6-bromo-7-methyl-1h-indazole-3-carbaldehyde

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
CC1=C(C=CC2=C(NN=C12)C=O)Br
InChI
InChI=1S/C9H7BrN2O/c1-5-7(10)3-2-6-8(4-13)11-12-9(5)6/h2-4H,1H3,(H,11,12)
InChIKey
IBWRVJFENOQITQ-UHFFFAOYSA-N
Compound name
6-bromo-7-methyl-2H-indazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.97418 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98146 140.9
[M+Na]+ 260.96340 156.3
[M-H]- 236.96690 145.6
[M+NH4]+ 256.00800 162.6
[M+K]+ 276.93734 144.0
[M+H-H2O]+ 220.97144 141.1
[M+HCOO]- 282.97238 161.6
[M+CH3COO]- 296.98803 156.8
[M+Na-2H]- 258.94885 149.0
[M]+ 237.97363 161.5
[M]- 237.97473 161.5
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.