CID 164719323

5-bromo-4-iodo-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C4H4BrIN2
SMILES
CN1C(=C(C=N1)I)Br
InChI
InChI=1S/C4H4BrIN2/c1-8-4(5)3(6)2-7-8/h2H,1H3
InChIKey
QLJRWEZOFSVBJI-UHFFFAOYSA-N
Compound name
5-bromo-4-iodo-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

285.86026 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.86754 130.0
[M+Na]+ 308.84948 137.6
[M-H]- 284.85298 128.2
[M+NH4]+ 303.89408 148.6
[M+K]+ 324.82342 133.6
[M+H-H2O]+ 268.85752 126.6
[M+HCOO]- 330.85846 147.2
[M+CH3COO]- 344.87411 186.3
[M+Na-2H]- 306.83493 126.8
[M]+ 285.85971 145.9
[M]- 285.86081 145.9
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