CID 2763521

169213-78-9

Structural Information

Molecular Formula
C7H9F3N2O
SMILES
C1=NNC(=C1CCCO)C(F)(F)F
InChI
InChI=1S/C7H9F3N2O/c8-7(9,10)6-5(2-1-3-13)4-11-12-6/h4,13H,1-3H2,(H,11,12)
InChIKey
MAJMCQXRRMHIEJ-UHFFFAOYSA-N
Compound name
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

194.0667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.073976 137.2
[M+Na]+ 217.055918 146.0
[M-H]- 193.059424 131.8
[M+NH4]+ 212.100523 154.6
[M+K]+ 233.029858 142.5
[M+H-H2O]+ 177.063960 128.6
[M+HCOO]- 239.064901 153.0
[M+CH3COO]- 253.080551 176.6
[M+Na-2H]- 215.041366 141.4
[M]+ 194.06615142 132.0
[M]- 194.06724858 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe