CID 2775667

175202-93-4

Structural Information

Molecular Formula
C10H7F3N2OS
SMILES
CN1C(=CC(=N1)C2=CC=C(S2)C=O)C(F)(F)F
InChI
InChI=1S/C10H7F3N2OS/c1-15-9(10(11,12)13)4-7(14-15)8-3-2-6(5-16)17-8/h2-5H,1H3
InChIKey
ITUYPRXQRPMRTL-UHFFFAOYSA-N
Compound name
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

260.02313 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03041 149.7
[M+Na]+ 283.01235 163.1
[M-H]- 259.01585 152.3
[M+NH4]+ 278.05695 168.9
[M+K]+ 298.98629 159.0
[M+H-H2O]+ 243.02039 141.3
[M+HCOO]- 305.02133 166.7
[M+CH3COO]- 319.03698 191.6
[M+Na-2H]- 280.99780 149.4
[M]+ 260.02258 152.2
[M]- 260.02368 152.2
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