CID 75464909

4-bromo-5-(difluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C4H3BrF2N2
SMILES
C1=NNC(=C1Br)C(F)F
InChI
InChI=1S/C4H3BrF2N2/c5-2-1-8-9-3(2)4(6)7/h1,4H,(H,8,9)
InChIKey
HWYWVZDJOQXJHH-UHFFFAOYSA-N
Compound name
4-bromo-5-(difluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

195.94476 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.95204 130.3
[M+Na]+ 218.93398 143.4
[M-H]- 194.93748 130.9
[M+NH4]+ 213.97858 151.9
[M+K]+ 234.90792 132.5
[M+H-H2O]+ 178.94202 128.6
[M+HCOO]- 240.94296 148.0
[M+CH3COO]- 254.95861 177.5
[M+Na-2H]- 216.91943 136.2
[M]+ 195.94421 144.6
[M]- 195.94531 144.6
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

patents stripe