CID 66520697

5-bromo-2-(prop-1-en-2-yl)pyrimidine

Structural Information

Molecular Formula
C7H7BrN2
SMILES
CC(=C)C1=NC=C(C=N1)Br
InChI
InChI=1S/C7H7BrN2/c1-5(2)7-9-3-6(8)4-10-7/h3-4H,1H2,2H3
InChIKey
NFYTXBRLWHNGBJ-UHFFFAOYSA-N
Compound name
5-bromo-2-prop-1-en-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

197.97926 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.986536 130.3
[M+Na]+ 220.968478 142.9
[M-H]- 196.971984 134.4
[M+NH4]+ 216.013083 150.9
[M+K]+ 236.942418 132.1
[M+H-H2O]+ 180.976520 130.0
[M+HCOO]- 242.977461 150.0
[M+CH3COO]- 256.993111 182.4
[M+Na-2H]- 218.953926 139.2
[M]+ 197.97871142 148.4
[M]- 197.97980858 148.4
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