CID 77531

2,4-dichloropyrimidine

Structural Information

Molecular Formula
C4H2Cl2N2
SMILES
C1=CN=C(N=C1Cl)Cl
InChI
InChI=1S/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2H
InChIKey
BTTNYQZNBZNDOR-UHFFFAOYSA-N
Compound name
2,4-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

15790
Patents

147.9595 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.96678 120.1
[M+Na]+ 170.94872 131.5
[M-H]- 146.95222 120.6
[M+NH4]+ 165.99332 140.1
[M+K]+ 186.92266 127.4
[M+H-H2O]+ 130.95676 114.7
[M+HCOO]- 192.95770 133.7
[M+CH3COO]- 206.97335 171.7
[M+Na-2H]- 168.93417 129.2
[M]+ 147.95895 122.1
[M]- 147.96005 122.1
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

patents stripe