CID 30689135

1092343-70-8

Structural Information

Molecular Formula
C8H3F6NO2
SMILES
C1=C(C=C(N=C1C(F)(F)F)C(F)(F)F)C(=O)O
InChI
InChI=1S/C8H3F6NO2/c9-7(10,11)4-1-3(6(16)17)2-5(15-4)8(12,13)14/h1-2H,(H,16,17)
InChIKey
FEBDLCQKXTYKFT-UHFFFAOYSA-N
Compound name
2,6-bis(trifluoromethyl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

259.0068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.01408 145.3
[M+Na]+ 281.99602 155.8
[M-H]- 257.99952 139.4
[M+NH4]+ 277.04062 160.2
[M+K]+ 297.96996 152.3
[M+H-H2O]+ 242.00406 134.9
[M+HCOO]- 304.00500 157.3
[M+CH3COO]- 318.02065 191.1
[M+Na-2H]- 279.98147 149.0
[M]+ 259.00625 137.1
[M]- 259.00735 137.1
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