CID 137965756

4-(4-bromo-2,3-difluorophenyl)-2,6-dichloropyrimidine

Structural Information

Molecular Formula
C10H3BrCl2F2N2
SMILES
C1=CC(=C(C(=C1C2=CC(=NC(=N2)Cl)Cl)F)F)Br
InChI
InChI=1S/C10H3BrCl2F2N2/c11-5-2-1-4(8(14)9(5)15)6-3-7(12)17-10(13)16-6/h1-3H
InChIKey
MIETYFDYDOAETA-UHFFFAOYSA-N
Compound name
4-(4-bromo-2,3-difluorophenyl)-2,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.88248 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.88976 153.1
[M+Na]+ 360.87170 170.1
[M-H]- 336.87520 157.6
[M+NH4]+ 355.91630 170.2
[M+K]+ 376.84564 154.8
[M+H-H2O]+ 320.87974 151.2
[M+HCOO]- 382.88068 162.5
[M+CH3COO]- 396.89633 167.3
[M+Na-2H]- 358.85715 158.8
[M]+ 337.88193 173.1
[M]- 337.88303 173.1
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

No patent data available for this compound.