CID 39870308

4-[3-(trifluoromethyl)-1h-pyrazol-1-yl]benzaldehyde

Structural Information

Molecular Formula
C11H7F3N2O
SMILES
C1=CC(=CC=C1C=O)N2C=CC(=N2)C(F)(F)F
InChI
InChI=1S/C11H7F3N2O/c12-11(13,14)10-5-6-16(15-10)9-3-1-8(7-17)2-4-9/h1-7H
InChIKey
RIMOQNXDOVWXGJ-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)pyrazol-1-yl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.05104 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05832 154.1
[M+Na]+ 263.04026 164.2
[M+NH4]+ 258.08486 159.1
[M+K]+ 279.01420 160.3
[M-H]- 239.04376 151.4
[M+Na-2H]- 261.02571 159.4
[M]+ 240.05049 154.5
[M]- 240.05159 154.5
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