CID 53415881

2,4,6-trichloro-5-iodopyrimidine

Structural Information

Molecular Formula
C4Cl3IN2
SMILES
C1(=C(N=C(N=C1Cl)Cl)Cl)I
InChI
InChI=1S/C4Cl3IN2/c5-2-1(8)3(6)10-4(7)9-2
InChIKey
MFBKQYDNIUTLRN-UHFFFAOYSA-N
Compound name
2,4,6-trichloro-5-iodopyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

307.81717 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.82445 127.7
[M+Na]+ 330.80639 133.4
[M-H]- 306.80989 121.0
[M+NH4]+ 325.85099 141.3
[M+K]+ 346.78033 134.1
[M+H-H2O]+ 290.81443 119.8
[M+HCOO]- 352.81537 131.7
[M+CH3COO]- 366.83102 190.6
[M+Na-2H]- 328.79184 123.3
[M]+ 307.81662 128.0
[M]- 307.81772 128.0
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