CID 45791852

5-chloro-[1,2,3,4]tetrazolo[1,5-a]pyrazine

Structural Information

Molecular Formula
C4H2ClN5
SMILES
C1=C(N2C(=NN=N2)C=N1)Cl
InChI
InChI=1S/C4H2ClN5/c5-3-1-6-2-4-7-8-9-10(3)4/h1-2H
InChIKey
CGCWQOOZYNELCR-UHFFFAOYSA-N
Compound name
5-chlorotetrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.99988 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.007156 124.6
[M+Na]+ 177.989098 138.2
[M-H]- 153.992604 123.0
[M+NH4]+ 173.033703 142.6
[M+K]+ 193.963038 134.4
[M+H-H2O]+ 137.997140 115.8
[M+HCOO]- 199.998081 141.2
[M+CH3COO]- 214.013731 138.5
[M+Na-2H]- 175.974546 135.2
[M]+ 154.99933142 128.1
[M]- 155.00042858 128.1
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.