CID 817094

3,5-dibromo-4-chloropyridine

Structural Information

Molecular Formula
C5H2Br2ClN
SMILES
C1=C(C(=C(C=N1)Br)Cl)Br
InChI
InChI=1S/C5H2Br2ClN/c6-3-1-9-2-4(7)5(3)8/h1-2H
InChIKey
XNXHPEUZNXWWCH-UHFFFAOYSA-N
Compound name
3,5-dibromo-4-chloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

268.82425 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.83153 126.6
[M+Na]+ 291.81347 140.5
[M-H]- 267.81697 133.0
[M+NH4]+ 286.85807 147.0
[M+K]+ 307.78741 124.0
[M+H-H2O]+ 251.82151 135.9
[M+HCOO]- 313.82245 139.9
[M+CH3COO]- 327.83810 197.5
[M+Na-2H]- 289.79892 136.1
[M]+ 268.82370 161.9
[M]- 268.82480 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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