CID 137951603

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

Structural Information

Molecular Formula
C7H6F2N2O
SMILES
C1C(C1(F)F)N2C=C(C=N2)C=O
InChI
InChI=1S/C7H6F2N2O/c8-7(9)1-6(7)11-3-5(4-12)2-10-11/h2-4,6H,1H2
InChIKey
WPTSAFGIFVDHDC-UHFFFAOYSA-N
Compound name
1-(2,2-difluorocyclopropyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.04482 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05210 132.6
[M+Na]+ 195.03404 145.3
[M-H]- 171.03754 135.8
[M+NH4]+ 190.07864 149.3
[M+K]+ 211.00798 142.1
[M+H-H2O]+ 155.04208 124.5
[M+HCOO]- 217.04302 154.2
[M+CH3COO]- 231.05867 181.1
[M+Na-2H]- 193.01949 138.0
[M]+ 172.04427 134.1
[M]- 172.04537 134.1
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.