CID 92132854

5-(chloromethyl)-1-methyl-1h-indazole

Structural Information

Molecular Formula
C9H9ClN2
SMILES
CN1C2=C(C=C(C=C2)CCl)C=N1
InChI
InChI=1S/C9H9ClN2/c1-12-9-3-2-7(5-10)4-8(9)6-11-12/h2-4,6H,5H2,1H3
InChIKey
QZBBHHPGFSOUCG-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-methylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

180.04543 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05271 134.3
[M+Na]+ 203.03465 146.9
[M-H]- 179.03815 136.8
[M+NH4]+ 198.07925 156.0
[M+K]+ 219.00859 142.1
[M+H-H2O]+ 163.04269 128.0
[M+HCOO]- 225.04363 153.6
[M+CH3COO]- 239.05928 149.0
[M+Na-2H]- 201.02010 142.0
[M]+ 180.04488 138.8
[M]- 180.04598 138.8
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