CID 118993571

2-(5-bromo-3-(trifluoromethyl)-1h-pyrazol-4-yl)propan-2-ol

Structural Information

Molecular Formula
C7H8BrF3N2O
SMILES
CC(C)(C1=C(NN=C1Br)C(F)(F)F)O
InChI
InChI=1S/C7H8BrF3N2O/c1-6(2,14)3-4(7(9,10)11)12-13-5(3)8/h14H,1-2H3,(H,12,13)
InChIKey
FTSFWFRWCGUMMJ-UHFFFAOYSA-N
Compound name
2-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

271.9772 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.98448 153.5
[M+Na]+ 294.96642 166.6
[M-H]- 270.96992 151.9
[M+NH4]+ 290.01102 171.8
[M+K]+ 310.94036 154.3
[M+H-H2O]+ 254.97446 151.6
[M+HCOO]- 316.97540 165.7
[M+CH3COO]- 330.99105 188.4
[M+Na-2H]- 292.95187 158.3
[M]+ 271.97665 166.6
[M]- 271.97775 166.6
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

patents stripe