CID 79782466

4-chloro-3-iodo-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C4H4ClIN2
SMILES
CN1C=C(C(=N1)I)Cl
InChI
InChI=1S/C4H4ClIN2/c1-8-2-3(5)4(6)7-8/h2H,1H3
InChIKey
CRIXGBBCBWNMDI-UHFFFAOYSA-N
Compound name
4-chloro-3-iodo-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.91077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.91805 123.5
[M+Na]+ 264.89999 128.2
[M-H]- 240.90349 118.3
[M+NH4]+ 259.94459 140.9
[M+K]+ 280.87393 131.3
[M+H-H2O]+ 224.90803 114.5
[M+HCOO]- 286.90897 138.2
[M+CH3COO]- 300.92462 179.9
[M+Na-2H]- 262.88544 118.2
[M]+ 241.91022 123.3
[M]- 241.91132 123.3
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.