CID 62727638

1-[(4-fluorophenyl)methyl]-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C11H9FN2O
SMILES
C1=CC(=CC=C1CN2C=C(C=N2)C=O)F
InChI
InChI=1S/C11H9FN2O/c12-11-3-1-9(2-4-11)6-14-7-10(8-15)5-13-14/h1-5,7-8H,6H2
InChIKey
DCVFLIPBIXFHOZ-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.06989 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07717 140.7
[M+Na]+ 227.05911 150.7
[M-H]- 203.06261 143.9
[M+NH4]+ 222.10371 158.9
[M+K]+ 243.03305 146.9
[M+H-H2O]+ 187.06715 131.8
[M+HCOO]- 249.06809 163.6
[M+CH3COO]- 263.08374 184.4
[M+Na-2H]- 225.04456 145.7
[M]+ 204.06934 140.9
[M]- 204.07044 140.9
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.