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]+ 205.07717 140.4
[M+Na]+ 227.05911 151.5
[M-H]- 203.06261 144.2
[M+NH4]+ 222.10371 159.0
[M+K]+ 243.03305 147.7
[M+H-H2O]+ 187.06715 131.9
[M+HCOO]- 249.06809 163.4
[M+CH3COO]- 263.08374 185.5
[M+Na-2H]- 225.04456 144.8
[M]+ 204.06934 141.2
[M]- 204.07044 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.