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 139.2
[M+Na]+ 246.96529 153.5
[M-H]- 222.96879 141.4
[M+NH4]+ 242.00989 160.9
[M+K]+ 262.93923 142.8
[M+H-H2O]+ 206.97333 137.8
[M+HCOO]- 268.97427 157.1
[M+CH3COO]- 282.98992 186.2
[M+Na-2H]- 244.95074 145.6
[M]+ 223.97552 156.3
[M]- 223.97662 156.3
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.