CID 133094776

3-bromo-2,6-bis(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H2BrF6N
SMILES
C1=CC(=NC(=C1Br)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7H2BrF6N/c8-3-1-2-4(6(9,10)11)15-5(3)7(12,13)14/h1-2H
InChIKey
NIYUWKCBQYYZRP-UHFFFAOYSA-N
Compound name
3-bromo-2,6-bis(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.9275 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.93478 154.3
[M+Na]+ 315.91672 168.6
[M-H]- 291.92022 152.9
[M+NH4]+ 310.96132 172.5
[M+K]+ 331.89066 156.2
[M+H-H2O]+ 275.92476 150.1
[M+HCOO]- 337.92570 166.6
[M+CH3COO]- 351.94135 196.4
[M+Na-2H]- 313.90217 160.1
[M]+ 292.92695 164.7
[M]- 292.92805 164.7
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