CID 10932746

2,4,6-trichloro-5-pyrimidinecarboxaldehyde

Structural Information

Molecular Formula
C5HCl3N2O
SMILES
C(=O)C1=C(N=C(N=C1Cl)Cl)Cl
InChI
InChI=1S/C5HCl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H
InChIKey
KVJIRFGNHAAUNQ-UHFFFAOYSA-N
Compound name
2,4,6-trichloropyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

861
Patents

209.91545 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.92273 132.0
[M+Na]+ 232.90467 144.6
[M-H]- 208.90817 131.7
[M+NH4]+ 227.94927 149.7
[M+K]+ 248.87861 139.5
[M+H-H2O]+ 192.91271 127.2
[M+HCOO]- 254.91365 140.0
[M+CH3COO]- 268.92930 183.6
[M+Na-2H]- 230.89012 137.8
[M]+ 209.91490 135.5
[M]- 209.91600 135.5
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