CID 60622998

1374659-38-7

Structural Information

Molecular Formula
C6H3F4N
SMILES
C1=CN=C(C(=C1C(F)F)F)F
InChI
InChI=1S/C6H3F4N/c7-4-3(5(8)9)1-2-11-6(4)10/h1-2,5H
InChIKey
BEKMBPQQOARBLZ-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-2,3-difluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

165.02016 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02744 124.0
[M+Na]+ 188.00938 134.5
[M-H]- 164.01288 121.8
[M+NH4]+ 183.05398 143.6
[M+K]+ 203.98332 132.0
[M+H-H2O]+ 148.01742 114.7
[M+HCOO]- 210.01836 143.0
[M+CH3COO]- 224.03401 179.3
[M+Na-2H]- 185.99483 129.0
[M]+ 165.01961 118.8
[M]- 165.02071 118.8
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