CID 22136519

6-chloro-1h-indazole-3-carbaldehyde

Structural Information

Molecular Formula
C8H5ClN2O
SMILES
C1=CC2=C(NN=C2C=C1Cl)C=O
InChI
InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-11-8(6)4-12/h1-4H,(H,10,11)
InChIKey
YQELBDVPJNKBAP-UHFFFAOYSA-N
Compound name
6-chloro-2H-indazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

180.00903 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.01631 132.1
[M+Na]+ 202.99825 144.9
[M-H]- 179.00175 133.5
[M+NH4]+ 198.04285 153.0
[M+K]+ 218.97219 139.4
[M+H-H2O]+ 163.00629 126.3
[M+HCOO]- 225.00723 150.7
[M+CH3COO]- 239.02288 146.5
[M+Na-2H]- 200.98370 140.0
[M]+ 180.00848 135.2
[M]- 180.00958 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe