CID 79794227

1315363-73-5

Structural Information

Molecular Formula
C7H5F2NO2
SMILES
C1=CC(=NC=C1OC(F)F)C=O
InChI
InChI=1S/C7H5F2NO2/c8-7(9)12-6-2-1-5(4-11)10-3-6/h1-4,7H
InChIKey
UQJXXLAPNMGZDF-UHFFFAOYSA-N
Compound name
5-(difluoromethoxy)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

173.02884 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.036116 128.9
[M+Na]+ 196.018058 138.2
[M-H]- 172.021564 128.9
[M+NH4]+ 191.062663 147.8
[M+K]+ 211.991998 136.7
[M+H-H2O]+ 156.026100 120.8
[M+HCOO]- 218.027041 150.4
[M+CH3COO]- 232.042691 178.5
[M+Na-2H]- 194.003506 135.2
[M]+ 173.02829142 128.2
[M]- 173.02938858 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

patents stripe