CID 384486

Nsc674312

Structural Information

Molecular Formula
C8H5Br4N5O2
SMILES
C1=C(N2C(=C(C(=N2)N)[N+](=O)[O-])N=C1C(Br)Br)C(Br)Br
InChI
InChI=1S/C8H5Br4N5O2/c9-5(10)2-1-3(6(11)12)16-8(14-2)4(17(18)19)7(13)15-16/h1,5-6H,(H2,13,15)
InChIKey
SYYOLGWYVLQITD-UHFFFAOYSA-N
Compound name
5,7-bis(dibromomethyl)-3-nitropyrazolo[1,5-a]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.71765 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.72493 166.8
[M+Na]+ 541.70687 172.3
[M-H]- 517.71037 170.0
[M+NH4]+ 536.75147 175.0
[M+K]+ 557.68081 158.0
[M+H-H2O]+ 501.71491 184.4
[M+HCOO]- 563.71585 171.8
[M+CH3COO]- 577.73150 239.1
[M+Na-2H]- 539.69232 168.4
[M]+ 518.71710 205.7
[M]- 518.71820 205.7
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

No patent data available for this compound.