CID 212269

Benzamide, 5-chloro-n-(3,4-dichlorophenyl)-2-(1h-tetrazol-5-ylmethoxy)-

Structural Information

Molecular Formula
C15H10Cl3N5O2
SMILES
C1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)Cl)OCC3=NNN=N3)Cl)Cl
InChI
InChI=1S/C15H10Cl3N5O2/c16-8-1-4-13(25-7-14-20-22-23-21-14)10(5-8)15(24)19-9-2-3-11(17)12(18)6-9/h1-6H,7H2,(H,19,24)(H,20,21,22,23)
InChIKey
BZEANDJGWZBMIN-UHFFFAOYSA-N
Compound name
5-chloro-N-(3,4-dichlorophenyl)-2-(2H-tetrazol-5-ylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

396.99002 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.99730 181.8
[M+Na]+ 419.97924 191.5
[M-H]- 395.98274 183.7
[M+NH4]+ 415.02384 189.6
[M+K]+ 435.95318 184.0
[M+H-H2O]+ 379.98728 171.2
[M+HCOO]- 441.98822 186.0
[M+CH3COO]- 456.00387 190.0
[M+Na-2H]- 417.96469 182.8
[M]+ 396.98947 185.0
[M]- 396.99057 185.0
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

patents stripe