CID 125451365

5-(chloromethyl)-4-iodo-1-methyl-1h-pyrazole hydrochloride

Structural Information

Molecular Formula
C5H6ClIN2
SMILES
CN1C(=C(C=N1)I)CCl
InChI
InChI=1S/C5H6ClIN2/c1-9-5(2-6)4(7)3-8-9/h3H,2H2,1H3
InChIKey
OFQPLRDUQFPMKC-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-4-iodo-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.92642 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.93370 128.4
[M+Na]+ 278.91564 132.7
[M-H]- 254.91914 123.1
[M+NH4]+ 273.96024 145.3
[M+K]+ 294.88958 135.6
[M+H-H2O]+ 238.92368 119.2
[M+HCOO]- 300.92462 142.8
[M+CH3COO]- 314.94027 182.8
[M+Na-2H]- 276.90109 122.6
[M]+ 255.92587 128.6
[M]- 255.92697 128.6
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

No patent data available for this compound.