CID 65710061

4-(4-bromophenyl)-2,6-dichloro-5-methylpyrimidine

Structural Information

Molecular Formula
C11H7BrCl2N2
SMILES
CC1=C(N=C(N=C1Cl)Cl)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H7BrCl2N2/c1-6-9(15-11(14)16-10(6)13)7-2-4-8(12)5-3-7/h2-5H,1H3
InChIKey
IXNVRHJMRPEFTJ-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-2,6-dichloro-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.91696 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.92424 151.5
[M+Na]+ 338.90618 167.2
[M-H]- 314.90968 158.1
[M+NH4]+ 333.95078 169.3
[M+K]+ 354.88012 152.6
[M+H-H2O]+ 298.91422 151.1
[M+HCOO]- 360.91516 162.4
[M+CH3COO]- 374.93081 166.2
[M+Na-2H]- 336.89163 158.6
[M]+ 315.91641 173.4
[M]- 315.91751 173.4
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

No patent data available for this compound.