CID 12804459

84940-51-2

Structural Information

Molecular Formula
C6H4F3N
SMILES
C1=CN=C(C=C1C(F)F)F
InChI
InChI=1S/C6H4F3N/c7-5-3-4(6(8)9)1-2-10-5/h1-3,6H
InChIKey
HQURWUNRSQARIS-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-2-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

147.02959 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.03687 121.7
[M+Na]+ 170.01881 131.3
[M-H]- 146.02231 120.5
[M+NH4]+ 165.06341 141.8
[M+K]+ 185.99275 129.2
[M+H-H2O]+ 130.02685 113.2
[M+HCOO]- 192.02779 141.8
[M+CH3COO]- 206.04344 175.3
[M+Na-2H]- 168.00426 128.1
[M]+ 147.02904 117.3
[M]- 147.03014 117.3
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