CID 80583459

2-azido-5-bromopyrimidine

Structural Information

Molecular Formula
C4H2BrN5
SMILES
C1=C(C=NC(=N1)N=[N+]=[N-])Br
InChI
InChI=1S/C4H2BrN5/c5-3-1-7-4(8-2-3)9-10-6/h1-2H
InChIKey
LWNBYVTWYQENKY-UHFFFAOYSA-N
Compound name
2-azido-5-bromopyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

198.94936 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.95664 125.7
[M+Na]+ 221.93858 137.8
[M-H]- 197.94208 132.5
[M+NH4]+ 216.98318 146.1
[M+K]+ 237.91252 123.3
[M+H-H2O]+ 181.94662 127.6
[M+HCOO]- 243.94756 153.3
[M+CH3COO]- 257.96321 183.3
[M+Na-2H]- 219.92403 140.6
[M]+ 198.94881 142.5
[M]- 198.94991 142.5
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