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

13
Patents

147.02959 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.036866 121.7
[M+Na]+ 170.018808 131.3
[M-H]- 146.022314 120.5
[M+NH4]+ 165.063413 141.8
[M+K]+ 185.992748 129.2
[M+H-H2O]+ 130.026850 113.2
[M+HCOO]- 192.027791 141.8
[M+CH3COO]- 206.043441 175.3
[M+Na-2H]- 168.004256 128.1
[M]+ 147.02904142 117.3
[M]- 147.03013858 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