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]+ 224.983346 139.2
[M+Na]+ 246.965288 153.5
[M-H]- 222.968794 141.4
[M+NH4]+ 242.009893 160.9
[M+K]+ 262.939228 142.8
[M+H-H2O]+ 206.973330 137.8
[M+HCOO]- 268.974271 157.1
[M+CH3COO]- 282.989921 186.2
[M+Na-2H]- 244.950736 145.6
[M]+ 223.97552142 156.3
[M]- 223.97661858 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.