CID 71833017

1392274-45-1

Structural Information

Molecular Formula
C5H6BrFN2
SMILES
CCN1C(=C(C=N1)Br)F
InChI
InChI=1S/C5H6BrFN2/c1-2-9-5(7)4(6)3-8-9/h3H,2H2,1H3
InChIKey
PECITCQHXXAIAB-UHFFFAOYSA-N
Compound name
4-bromo-1-ethyl-5-fluoropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.96983 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.97711 129.4
[M+Na]+ 214.95905 143.7
[M-H]- 190.96255 132.7
[M+NH4]+ 210.00365 152.3
[M+K]+ 230.93299 133.4
[M+H-H2O]+ 174.96709 128.5
[M+HCOO]- 236.96803 150.1
[M+CH3COO]- 250.98368 180.5
[M+Na-2H]- 212.94450 136.5
[M]+ 191.96928 147.8
[M]- 191.97038 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.