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]+ 181.052706 134.3
[M+Na]+ 203.034648 146.9
[M-H]- 179.038154 136.8
[M+NH4]+ 198.079253 156.0
[M+K]+ 219.008588 142.1
[M+H-H2O]+ 163.042690 128.0
[M+HCOO]- 225.043631 153.6
[M+CH3COO]- 239.059281 149.0
[M+Na-2H]- 201.020096 142.0
[M]+ 180.04488142 138.8
[M]- 180.04597858 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