CID 605320

2-chloro-5-phenylpyrimidine

Structural Information

Molecular Formula
C10H7ClN2
SMILES
C1=CC=C(C=C1)C2=CN=C(N=C2)Cl
InChI
InChI=1S/C10H7ClN2/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey
JJNIWMPNOFGQEA-UHFFFAOYSA-N
Compound name
2-chloro-5-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

190.02977 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03705 136.1
[M+Na]+ 213.01899 146.2
[M-H]- 189.02249 140.0
[M+NH4]+ 208.06359 153.7
[M+K]+ 228.99293 141.1
[M+H-H2O]+ 173.02703 128.2
[M+HCOO]- 235.02797 154.4
[M+CH3COO]- 249.04362 149.6
[M+Na-2H]- 211.00444 145.3
[M]+ 190.02922 137.1
[M]- 190.03032 137.1
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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