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 145.9
[M+Na]+ 260.96340 150.5
[M+NH4]+ 256.00800 150.4
[M+K]+ 276.93734 151.4
[M-H]- 236.96690 145.3
[M+Na-2H]- 258.94885 148.5
[M]+ 237.97363 145.1
[M]- 237.97473 145.1
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.