CID 45789202

1185307-77-0

Structural Information

Molecular Formula
C6HBrClFN2
SMILES
C1=C(C(=NC(=C1Cl)C#N)Br)F
InChI
InChI=1S/C6HBrClFN2/c7-6-4(9)1-3(8)5(2-10)11-6/h1H
InChIKey
VFWBDZYBRIIRHP-UHFFFAOYSA-N
Compound name
6-bromo-3-chloro-5-fluoropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.89957 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.90685 128.4
[M+Na]+ 256.88879 145.1
[M-H]- 232.89229 131.2
[M+NH4]+ 251.93339 147.8
[M+K]+ 272.86273 132.2
[M+H-H2O]+ 216.89683 121.7
[M+HCOO]- 278.89777 144.1
[M+CH3COO]- 292.91342 197.7
[M+Na-2H]- 254.87424 136.1
[M]+ 233.89902 141.2
[M]- 233.90012 141.2
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

No patent data available for this compound.