CID 171338321

4,5-dibromo-3-(methoxymethyl)-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C6H8Br2N2O
SMILES
CN1C(=C(C(=N1)COC)Br)Br
InChI
InChI=1S/C6H8Br2N2O/c1-10-6(8)5(7)4(9-10)3-11-2/h3H2,1-2H3
InChIKey
BUQCQXDLFGDUPG-UHFFFAOYSA-N
Compound name
4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.90033 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.90761 134.3
[M+Na]+ 304.88955 147.7
[M-H]- 280.89305 139.9
[M+NH4]+ 299.93415 154.1
[M+K]+ 320.86349 133.1
[M+H-H2O]+ 264.89759 142.2
[M+HCOO]- 326.89853 150.8
[M+CH3COO]- 340.91418 201.4
[M+Na-2H]- 302.87500 141.1
[M]+ 281.89978 170.6
[M]- 281.90088 170.6
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.