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]+ 166.027436 124.0
[M+Na]+ 188.009378 134.5
[M-H]- 164.012884 121.8
[M+NH4]+ 183.053983 143.6
[M+K]+ 203.983318 132.0
[M+H-H2O]+ 148.017420 114.7
[M+HCOO]- 210.018361 143.0
[M+CH3COO]- 224.034011 179.3
[M+Na-2H]- 185.994826 129.0
[M]+ 165.01961142 118.8
[M]- 165.02070858 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