CID 46311624

4-(difluoromethoxy)-2,6-dimethylpyridine

Structural Information

Molecular Formula
C8H9F2NO
SMILES
CC1=CC(=CC(=N1)C)OC(F)F
InChI
InChI=1S/C8H9F2NO/c1-5-3-7(12-8(9)10)4-6(2)11-5/h3-4,8H,1-2H3
InChIKey
PFGPIPAZUSGKQH-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-2,6-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.06522 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.072496 131.4
[M+Na]+ 196.054438 140.9
[M-H]- 172.057944 131.6
[M+NH4]+ 191.099043 150.8
[M+K]+ 212.028378 139.3
[M+H-H2O]+ 156.062480 123.5
[M+HCOO]- 218.063421 152.1
[M+CH3COO]- 232.079071 181.6
[M+Na-2H]- 194.039886 136.4
[M]+ 173.06467142 130.7
[M]- 173.06576858 130.7
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