CID 2990497

5-[(4-chlorophenoxy)methyl]-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C8H7ClN4O
SMILES
C1=CC(=CC=C1OCC2=NNN=N2)Cl
InChI
InChI=1S/C8H7ClN4O/c9-6-1-3-7(4-2-6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKey
LAEFYQOLGWVFTE-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenoxy)methyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

210.03084 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.038116 140.6
[M+Na]+ 233.020058 150.8
[M-H]- 209.023564 140.7
[M+NH4]+ 228.064663 155.6
[M+K]+ 248.993998 145.9
[M+H-H2O]+ 193.028100 131.3
[M+HCOO]- 255.029041 156.2
[M+CH3COO]- 269.044691 152.6
[M+Na-2H]- 231.005506 147.3
[M]+ 210.03029142 141.9
[M]- 210.03138858 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.