CID 13388993

2,4,6-trichloro-5-fluoropyrimidine

Structural Information

Molecular Formula
C4Cl3FN2
SMILES
C1(=C(N=C(N=C1Cl)Cl)Cl)F
InChI
InChI=1S/C4Cl3FN2/c5-2-1(8)3(6)10-4(7)9-2
InChIKey
XXBZSPPWTVRISV-UHFFFAOYSA-N
Compound name
2,4,6-trichloro-5-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

199.9111 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.91838 126.9
[M+Na]+ 222.90032 139.7
[M-H]- 198.90382 125.3
[M+NH4]+ 217.94492 145.1
[M+K]+ 238.87426 134.5
[M+H-H2O]+ 182.90836 121.4
[M+HCOO]- 244.90930 133.9
[M+CH3COO]- 258.92495 182.3
[M+Na-2H]- 220.88577 132.8
[M]+ 199.91055 128.4
[M]- 199.91165 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe