CID 155858275

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

Structural Information

Molecular Formula
C5H5BrF2N2
SMILES
CC(C1=C(C=NN1)Br)(F)F
InChI
InChI=1S/C5H5BrF2N2/c1-5(7,8)4-3(6)2-9-10-4/h2H,1H3,(H,9,10)
InChIKey
JHQRZGKQNZJHNF-UHFFFAOYSA-N
Compound name
4-bromo-5-(1,1-difluoroethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.96042 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.96770 136.1
[M+Na]+ 232.94964 149.5
[M-H]- 208.95314 136.7
[M+NH4]+ 227.99424 157.3
[M+K]+ 248.92358 138.1
[M+H-H2O]+ 192.95768 134.8
[M+HCOO]- 254.95862 152.8
[M+CH3COO]- 268.97427 179.8
[M+Na-2H]- 230.93509 143.1
[M]+ 209.95987 150.7
[M]- 209.96097 150.7
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.