CID 20444413

5-bromo-2-cyclopropylpyrimidine

Structural Information

Molecular Formula
C7H7BrN2
SMILES
C1CC1C2=NC=C(C=N2)Br
InChI
InChI=1S/C7H7BrN2/c8-6-3-9-7(10-4-6)5-1-2-5/h3-5H,1-2H2
InChIKey
ANURJXNEVQWODA-UHFFFAOYSA-N
Compound name
5-bromo-2-cyclopropylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

271
Patents

197.97926 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98654 127.7
[M+Na]+ 220.96848 134.0
[M+NH4]+ 216.01308 133.8
[M+K]+ 236.94242 134.7
[M-H]- 196.97198 135.0
[M+Na-2H]- 218.95393 135.9
[M]+ 197.97871 130.5
[M]- 197.97981 130.5
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