CID 589865

2,3-bis(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H3F6N
SMILES
C1=CC(=C(N=C1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7H3F6N/c8-6(9,10)4-2-1-3-14-5(4)7(11,12)13/h1-3H
InChIKey
RRNXYHYDSDAOFW-UHFFFAOYSA-N
Compound name
2,3-bis(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

215.01697 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.02425 136.1
[M+Na]+ 238.00619 146.6
[M-H]- 214.00969 131.3
[M+NH4]+ 233.05079 153.4
[M+K]+ 253.98013 143.3
[M+H-H2O]+ 198.01423 125.5
[M+HCOO]- 260.01517 150.3
[M+CH3COO]- 274.03082 185.7
[M+Na-2H]- 235.99164 142.3
[M]+ 215.01642 127.5
[M]- 215.01752 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe