CID 817414

2,6-dichloro-3-phenylpyridine

Structural Information

Molecular Formula
C11H7Cl2N
SMILES
C1=CC=C(C=C1)C2=C(N=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H7Cl2N/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h1-7H
InChIKey
MTUMHWPBSOBUCL-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-phenylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

222.99556 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00284 142.1
[M+Na]+ 245.98478 153.0
[M-H]- 221.98828 146.9
[M+NH4]+ 241.02938 160.4
[M+K]+ 261.95872 146.6
[M+H-H2O]+ 205.99282 135.8
[M+HCOO]- 267.99376 156.2
[M+CH3COO]- 282.00941 155.4
[M+Na-2H]- 243.97023 149.1
[M]+ 222.99501 144.5
[M]- 222.99611 144.5
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