CID 124155826

5-(chloromethyl)-2-methyl-2h-indazole

Structural Information

Molecular Formula
C9H9ClN2
SMILES
CN1C=C2C=C(C=CC2=N1)CCl
InChI
InChI=1S/C9H9ClN2/c1-12-6-8-4-7(5-10)2-3-9(8)11-12/h2-4,6H,5H2,1H3
InChIKey
DEIHYPIXKGWCPR-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-methylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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 133.4
[M+Na]+ 203.03465 149.5
[M+NH4]+ 198.07925 143.4
[M+K]+ 219.00859 142.9
[M-H]- 179.03815 135.7
[M+Na-2H]- 201.02010 141.5
[M]+ 180.04488 136.8
[M]- 180.04598 136.8
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