CID 62727638

1342979-38-7

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

2
Patents

204.06989 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.077166 140.7
[M+Na]+ 227.059108 150.7
[M-H]- 203.062614 143.9
[M+NH4]+ 222.103713 158.9
[M+K]+ 243.033048 146.9
[M+H-H2O]+ 187.067150 131.8
[M+HCOO]- 249.068091 163.6
[M+CH3COO]- 263.083741 184.4
[M+Na-2H]- 225.044556 145.7
[M]+ 204.06934142 140.9
[M]- 204.07043858 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

patents stripe