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

7
Patents

197.97926 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98654 132.3
[M+Na]+ 220.96848 136.6
[M+NH4]+ 216.01308 137.0
[M+K]+ 236.94242 136.6
[M-H]- 196.97198 132.2
[M+Na-2H]- 218.95393 136.7
[M]+ 197.97871 131.7
[M]- 197.97981 131.7
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