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

2
Patents

173.06522 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07250 131.4
[M+Na]+ 196.05444 140.9
[M-H]- 172.05794 131.6
[M+NH4]+ 191.09904 150.8
[M+K]+ 212.02838 139.3
[M+H-H2O]+ 156.06248 123.5
[M+HCOO]- 218.06342 152.1
[M+CH3COO]- 232.07907 181.6
[M+Na-2H]- 194.03989 136.4
[M]+ 173.06467 130.7
[M]- 173.06577 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