CID 3654493

5-chloro-2,3-diphenylpyrazine

Structural Information

Molecular Formula
C16H11ClN2
SMILES
C1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=CC=C3)Cl
InChI
InChI=1S/C16H11ClN2/c17-14-11-18-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-11H
InChIKey
VUGNCPVAXWZTOL-UHFFFAOYSA-N
Compound name
5-chloro-2,3-diphenylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

151
Patents

266.06107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06835 158.7
[M+Na]+ 289.05029 168.4
[M-H]- 265.05379 165.4
[M+NH4]+ 284.09489 172.8
[M+K]+ 305.02423 161.1
[M+H-H2O]+ 249.05833 148.7
[M+HCOO]- 311.05927 176.1
[M+CH3COO]- 325.07492 170.6
[M+Na-2H]- 287.03574 166.2
[M]+ 266.06052 159.5
[M]- 266.06162 159.5
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

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