CID 100644

4,6-dichloro-5-nitro-2-phenylpyrimidine

Structural Information

Molecular Formula
C10H5Cl2N3O2
SMILES
C1=CC=C(C=C1)C2=NC(=C(C(=N2)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H5Cl2N3O2/c11-8-7(15(16)17)9(12)14-10(13-8)6-4-2-1-3-5-6/h1-5H
InChIKey
SDWYUIVXOJWKKA-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-nitro-2-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

268.9759 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.98318 152.7
[M+Na]+ 291.96512 162.3
[M-H]- 267.96862 156.1
[M+NH4]+ 287.00972 166.6
[M+K]+ 307.93906 153.0
[M+H-H2O]+ 251.97316 149.8
[M+HCOO]- 313.97410 166.6
[M+CH3COO]- 327.98975 188.7
[M+Na-2H]- 289.95057 160.3
[M]+ 268.97535 154.3
[M]- 268.97645 154.3
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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