CID 165940942

N-(5-bromopyrimidin-2-yl)-n-methylcarbamoyl chloride

Structural Information

Molecular Formula
C6H5BrClN3O
SMILES
CN(C1=NC=C(C=N1)Br)C(=O)Cl
InChI
InChI=1S/C6H5BrClN3O/c1-11(5(8)12)6-9-2-4(7)3-10-6/h2-3H,1H3
InChIKey
YGDFTFNYHVVERJ-UHFFFAOYSA-N
Compound name
N-(5-bromopyrimidin-2-yl)-N-methylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.93045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.93773 136.1
[M+Na]+ 271.91967 149.1
[M-H]- 247.92317 141.5
[M+NH4]+ 266.96427 155.8
[M+K]+ 287.89361 138.0
[M+H-H2O]+ 231.92771 135.3
[M+HCOO]- 293.92865 153.2
[M+CH3COO]- 307.94430 192.1
[M+Na-2H]- 269.90512 144.7
[M]+ 248.92990 157.3
[M]- 248.93100 157.3
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.