CID 68647558

5-bromo-4-iodo-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2BrF3IN
SMILES
C1=C(C(=CN=C1C(F)(F)F)Br)I
InChI
InChI=1S/C6H2BrF3IN/c7-3-2-12-5(1-4(3)11)6(8,9)10/h1-2H
InChIKey
CQTRWNRVSWLXGL-UHFFFAOYSA-N
Compound name
5-bromo-4-iodo-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

350.83673 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.84401 145.6
[M+Na]+ 373.82595 152.6
[M-H]- 349.82945 141.2
[M+NH4]+ 368.87055 161.2
[M+K]+ 389.79989 147.0
[M+H-H2O]+ 333.83399 140.2
[M+HCOO]- 395.83493 158.2
[M+CH3COO]- 409.85058 196.1
[M+Na-2H]- 371.81140 142.0
[M]+ 350.83618 157.2
[M]- 350.83728 157.2
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