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]+ 210.967696 136.1
[M+Na]+ 232.949638 149.5
[M-H]- 208.953144 136.7
[M+NH4]+ 227.994243 157.3
[M+K]+ 248.923578 138.1
[M+H-H2O]+ 192.957680 134.8
[M+HCOO]- 254.958621 152.8
[M+CH3COO]- 268.974271 179.8
[M+Na-2H]- 230.935086 143.1
[M]+ 209.95987142 150.7
[M]- 209.96096858 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.