CID 124037072

3-(difluoromethoxy)picolinaldehyde

Structural Information

Molecular Formula
C7H5F2NO2
SMILES
C1=CC(=C(N=C1)C=O)OC(F)F
InChI
InChI=1S/C7H5F2NO2/c8-7(9)12-6-2-1-3-10-5(6)4-11/h1-4,7H
InChIKey
MMHZKYRDUQQSTA-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.02884 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03612 128.9
[M+Na]+ 196.01806 138.2
[M-H]- 172.02156 128.9
[M+NH4]+ 191.06266 147.8
[M+K]+ 211.99200 136.7
[M+H-H2O]+ 156.02610 120.8
[M+HCOO]- 218.02704 150.4
[M+CH3COO]- 232.04269 178.5
[M+Na-2H]- 194.00351 135.2
[M]+ 173.02829 128.2
[M]- 173.02939 128.2
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.