CID 146049296

4-bromo-5-(1,1-difluoroethyl)-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C6H7BrF2N2
SMILES
CC(C1=C(C=NN1C)Br)(F)F
InChI
InChI=1S/C6H7BrF2N2/c1-6(8,9)5-4(7)3-10-11(5)2/h3H,1-2H3
InChIKey
MDBMOHQSEZYGIN-UHFFFAOYSA-N
Compound name
4-bromo-5-(1,1-difluoroethyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.97607 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.98335 150.1
[M+Na]+ 246.96529 151.3
[M+NH4]+ 242.00989 153.0
[M+K]+ 262.93923 153.1
[M-H]- 222.96879 146.2
[M+Na-2H]- 244.95074 150.7
[M]+ 223.97552 147.8
[M]- 223.97662 147.8
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.