CID 155819677

5-(difluoromethoxy)-6-methylpyridine-2-carbaldehyde

Structural Information

Molecular Formula
C8H7F2NO2
SMILES
CC1=C(C=CC(=N1)C=O)OC(F)F
InChI
InChI=1S/C8H7F2NO2/c1-5-7(13-8(9)10)3-2-6(4-12)11-5/h2-4,8H,1H3
InChIKey
WUKYXIKJWUGNRL-UHFFFAOYSA-N
Compound name
5-(difluoromethoxy)-6-methylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04448 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05176 133.1
[M+Na]+ 210.03370 142.9
[M-H]- 186.03720 133.3
[M+NH4]+ 205.07830 151.8
[M+K]+ 226.00764 141.2
[M+H-H2O]+ 170.04174 125.0
[M+HCOO]- 232.04268 154.2
[M+CH3COO]- 246.05833 182.7
[M+Na-2H]- 208.01915 138.2
[M]+ 187.04393 133.2
[M]- 187.04503 133.2
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.