CID 91632935

1214385-50-8

Structural Information

Molecular Formula
C7H4F5NO
SMILES
C1=CN=C(C=C1C(F)(F)F)OC(F)F
InChI
InChI=1S/C7H4F5NO/c8-6(9)14-5-3-4(1-2-13-5)7(10,11)12/h1-3,6H
InChIKey
CIMBPICIHTZGRO-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0213 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02858 135.9
[M+Na]+ 236.01052 145.5
[M-H]- 212.01402 132.0
[M+NH4]+ 231.05512 153.1
[M+K]+ 251.98446 143.1
[M+H-H2O]+ 196.01856 125.5
[M+HCOO]- 258.01950 152.0
[M+CH3COO]- 272.03515 185.7
[M+Na-2H]- 233.99597 140.9
[M]+ 213.02075 130.1
[M]- 213.02185 130.1
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.