CID 72191249

1426830-32-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

240.05104 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.058316 147.0
[M+Na]+ 263.040258 157.6
[M-H]- 239.043764 147.9
[M+NH4]+ 258.084863 163.8
[M+K]+ 279.014198 153.3
[M+H-H2O]+ 223.048300 136.8
[M+HCOO]- 285.049241 166.1
[M+CH3COO]- 299.064891 189.6
[M+Na-2H]- 261.025706 151.6
[M]+ 240.05049142 144.4
[M]- 240.05158858 144.4
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