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]+ 156.00716 124.6
[M+Na]+ 177.98910 138.2
[M-H]- 153.99260 123.0
[M+NH4]+ 173.03370 142.6
[M+K]+ 193.96304 134.4
[M+H-H2O]+ 137.99714 115.8
[M+HCOO]- 199.99808 141.2
[M+CH3COO]- 214.01373 138.5
[M+Na-2H]- 175.97455 135.2
[M]+ 154.99933 128.1
[M]- 155.00043 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.