CID 13491638

2,3-difluoro-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2F5N
SMILES
C1=CN=C(C(=C1C(F)(F)F)F)F
InChI
InChI=1S/C6H2F5N/c7-4-3(6(9,10)11)1-2-12-5(4)8/h1-2H
InChIKey
ZOMVJIOHXSXCIP-UHFFFAOYSA-N
Compound name
2,3-difluoro-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

183.01074 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01802 127.6
[M+Na]+ 205.99996 138.9
[M-H]- 182.00346 124.3
[M+NH4]+ 201.04456 146.5
[M+K]+ 221.97390 135.9
[M+H-H2O]+ 166.00800 117.8
[M+HCOO]- 228.00894 144.8
[M+CH3COO]- 242.02459 181.1
[M+Na-2H]- 203.98541 133.7
[M]+ 183.01019 121.0
[M]- 183.01129 121.0
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