CID 3054059

N-(4-chlorophenyl)-1h-tetrazole-5-acetamide

Structural Information

Molecular Formula
C9H8ClN5O
SMILES
C1=CC(=CC=C1N2C(=NN=N2)CC(=O)N)Cl
InChI
InChI=1S/C9H8ClN5O/c10-6-1-3-7(4-2-6)15-9(5-8(11)16)12-13-14-15/h1-4H,5H2,(H2,11,16)
InChIKey
TXYJESRLJLNFFF-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)tetrazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.04173 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.04901 148.9
[M+Na]+ 260.03095 159.1
[M-H]- 236.03445 150.4
[M+NH4]+ 255.07555 163.0
[M+K]+ 276.00489 154.2
[M+H-H2O]+ 220.03899 139.4
[M+HCOO]- 282.03993 165.3
[M+CH3COO]- 296.05558 160.7
[M+Na-2H]- 258.01640 153.2
[M]+ 237.04118 149.9
[M]- 237.04228 149.9
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.