CID 43121476

3-(2,6-difluorophenyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H6F2N2O
SMILES
C1=CC(=C(C(=C1)F)C2=C(C=NN2)C=O)F
InChI
InChI=1S/C10H6F2N2O/c11-7-2-1-3-8(12)9(7)10-6(5-15)4-13-14-10/h1-5H,(H,13,14)
InChIKey
ZYJVTZVRZMCKMI-UHFFFAOYSA-N
Compound name
5-(2,6-difluorophenyl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04482 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05210 139.0
[M+Na]+ 231.03404 150.0
[M-H]- 207.03754 140.1
[M+NH4]+ 226.07864 156.6
[M+K]+ 247.00798 145.1
[M+H-H2O]+ 191.04208 129.9
[M+HCOO]- 253.04302 159.7
[M+CH3COO]- 267.05867 182.7
[M+Na-2H]- 229.01949 142.8
[M]+ 208.04427 136.4
[M]- 208.04537 136.4
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.