CID 84689533

5-bromo-1h-indazole-4-carbaldehyde

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=CC(=C(C2=C1NN=C2)C=O)Br
InChI
InChI=1S/C8H5BrN2O/c9-7-1-2-8-5(3-10-11-8)6(7)4-12/h1-4H,(H,10,11)
InChIKey
AUTBNDOSEFBISV-UHFFFAOYSA-N
Compound name
5-bromo-1H-indazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.95853 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96581 136.4
[M+Na]+ 246.94775 151.4
[M-H]- 222.95125 140.9
[M+NH4]+ 241.99235 158.4
[M+K]+ 262.92169 139.4
[M+H-H2O]+ 206.95579 136.6
[M+HCOO]- 268.95673 157.5
[M+CH3COO]- 282.97238 152.4
[M+Na-2H]- 244.93320 145.8
[M]+ 223.95798 156.3
[M]- 223.95908 156.3
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