CID 72213067

1260667-53-5

Structural Information

Molecular Formula
C9H10BrF3N2O
SMILES
C1CCOC(C1)N2C=C(C(=N2)C(F)(F)F)Br
InChI
InChI=1S/C9H10BrF3N2O/c10-6-5-15(7-3-1-2-4-16-7)14-8(6)9(11,12)13/h5,7H,1-4H2
InChIKey
IFOQDCIJCOHTRK-UHFFFAOYSA-N
Compound name
4-bromo-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.99286 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.00014 160.5
[M+Na]+ 320.98208 171.8
[M-H]- 296.98558 163.9
[M+NH4]+ 316.02668 177.5
[M+K]+ 336.95602 161.7
[M+H-H2O]+ 280.99012 157.4
[M+HCOO]- 342.99106 173.1
[M+CH3COO]- 357.00671 195.1
[M+Na-2H]- 318.96753 164.4
[M]+ 297.99231 173.2
[M]- 297.99341 173.2
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.