CID 53645907

5-bromo-4-cyclopropylpyrimidine

Structural Information

Molecular Formula
C7H7BrN2
SMILES
C1CC1C2=NC=NC=C2Br
InChI
InChI=1S/C7H7BrN2/c8-6-3-9-4-10-7(6)5-1-2-5/h3-5H,1-2H2
InChIKey
AJHZEZBUHSHXIR-UHFFFAOYSA-N
Compound name
5-bromo-4-cyclopropylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

197.97926 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.986536 137.4
[M+Na]+ 220.968478 151.7
[M-H]- 196.971984 145.1
[M+NH4]+ 216.013083 153.5
[M+K]+ 236.942418 140.4
[M+H-H2O]+ 180.976520 136.0
[M+HCOO]- 242.977461 158.5
[M+CH3COO]- 256.993111 152.6
[M+Na-2H]- 218.953926 146.9
[M]+ 197.97871142 156.7
[M]- 197.97980858 156.7
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