CID 820572

76167-89-0

Structural Information

Molecular Formula
C9H9ClN4O
SMILES
C1=CC(=CC=C1OCCC2=NNN=N2)Cl
InChI
InChI=1S/C9H9ClN4O/c10-7-1-3-8(4-2-7)15-6-5-9-11-13-14-12-9/h1-4H,5-6H2,(H,11,12,13,14)
InChIKey
IQPUUCJRMGMYET-UHFFFAOYSA-N
Compound name
5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0465 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05378 145.1
[M+Na]+ 247.03572 154.8
[M-H]- 223.03922 145.0
[M+NH4]+ 242.08032 159.5
[M+K]+ 263.00966 149.7
[M+H-H2O]+ 207.04376 135.5
[M+HCOO]- 269.04470 160.3
[M+CH3COO]- 283.06035 156.6
[M+Na-2H]- 245.02117 151.2
[M]+ 224.04595 146.7
[M]- 224.04705 146.7
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.