CID 55038526

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

Structural Information

Molecular Formula
C12H9F3N2O
SMILES
CC1=C(C=CC(=C1)N2C=CC(=N2)C(F)(F)F)C=O
InChI
InChI=1S/C12H9F3N2O/c1-8-6-10(3-2-9(8)7-18)17-5-4-11(16-17)12(13,14)15/h2-7H,1H3
InChIKey
UFGWSXJMTWOJAM-UHFFFAOYSA-N
Compound name
2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07398 151.5
[M+Na]+ 277.05592 162.7
[M-H]- 253.05942 152.7
[M+NH4]+ 272.10052 168.1
[M+K]+ 293.02986 158.1
[M+H-H2O]+ 237.06396 141.5
[M+HCOO]- 299.06490 170.3
[M+CH3COO]- 313.08055 193.7
[M+Na-2H]- 275.04137 154.9
[M]+ 254.06615 149.7
[M]- 254.06725 149.7
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.