CID 60865974

1-(2-fluorophenyl)-5-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C11H9FN2O
SMILES
CC1=C(C=NN1C2=CC=CC=C2F)C=O
InChI
InChI=1S/C11H9FN2O/c1-8-9(7-15)6-13-14(8)11-5-3-2-4-10(11)12/h2-7H,1H3
InChIKey
NWCACSGIBNTRRQ-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-5-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.06989 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.077166 140.4
[M+Na]+ 227.059108 151.5
[M-H]- 203.062614 144.2
[M+NH4]+ 222.103713 159.0
[M+K]+ 243.033048 147.7
[M+H-H2O]+ 187.067150 131.9
[M+HCOO]- 249.068091 163.4
[M+CH3COO]- 263.083741 185.5
[M+Na-2H]- 225.044556 144.8
[M]+ 204.06934142 141.2
[M]- 204.07043858 141.2
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

No patent data available for this compound.