CID 18469964

2-chloro-4-methyl-5-nitropyrimidine

Structural Information

Molecular Formula
C5H4ClN3O2
SMILES
CC1=NC(=NC=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C5H4ClN3O2/c1-3-4(9(10)11)2-7-5(6)8-3/h2H,1H3
InChIKey
IJVDFYRAYUHAIL-UHFFFAOYSA-N
Compound name
2-chloro-4-methyl-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

172.9992 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.00648 127.6
[M+Na]+ 195.98842 143.0
[M+NH4]+ 191.03302 135.9
[M+K]+ 211.96236 139.5
[M-H]- 171.99192 130.0
[M+Na-2H]- 193.97387 135.1
[M]+ 172.99865 130.7
[M]- 172.99975 130.7
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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