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 130.3
[M+Na]+ 220.96848 142.9
[M-H]- 196.97198 134.4
[M+NH4]+ 216.01308 150.9
[M+K]+ 236.94242 132.1
[M+H-H2O]+ 180.97652 130.0
[M+HCOO]- 242.97746 150.0
[M+CH3COO]- 256.99311 182.4
[M+Na-2H]- 218.95393 139.2
[M]+ 197.97871 148.4
[M]- 197.97981 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