CID 24692431

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

Structural Information

Molecular Formula
C10H6F2N2O
SMILES
C1=CC(=C(C=C1F)F)N2C=C(C=N2)C=O
InChI
InChI=1S/C10H6F2N2O/c11-8-1-2-10(9(12)3-8)14-5-7(6-15)4-13-14/h1-6H
InChIKey
KHJNQQRBDAAYEF-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

208.04482 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05210 138.4
[M+Na]+ 231.03404 149.9
[M-H]- 207.03754 140.8
[M+NH4]+ 226.07864 156.7
[M+K]+ 247.00798 145.8
[M+H-H2O]+ 191.04208 129.0
[M+HCOO]- 253.04302 160.6
[M+CH3COO]- 267.05867 185.3
[M+Na-2H]- 229.01949 142.7
[M]+ 208.04427 137.6
[M]- 208.04537 137.6
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