CID 521266

2,4-dichloro-5-nitropyrimidine

Structural Information

Molecular Formula
C4HCl2N3O2
SMILES
C1=C(C(=NC(=N1)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H
InChIKey
INUSQTPGSHFGHM-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5539
Patents

192.94458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.95186 130.3
[M+Na]+ 215.93380 140.6
[M-H]- 191.93730 130.9
[M+NH4]+ 210.97840 147.6
[M+K]+ 231.90774 133.3
[M+H-H2O]+ 175.94184 129.7
[M+HCOO]- 237.94278 145.0
[M+CH3COO]- 251.95843 174.0
[M+Na-2H]- 213.91925 139.4
[M]+ 192.94403 131.5
[M]- 192.94513 131.5
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