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]+ 211.03812 140.6
[M+Na]+ 233.02006 150.8
[M-H]- 209.02356 140.7
[M+NH4]+ 228.06466 155.6
[M+K]+ 248.99400 145.9
[M+H-H2O]+ 193.02810 131.3
[M+HCOO]- 255.02904 156.2
[M+CH3COO]- 269.04469 152.6
[M+Na-2H]- 231.00551 147.3
[M]+ 210.03029 141.9
[M]- 210.03139 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.