CID 42958595

5-(1-chloroethyl)-1-phenyl-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C9H9ClN4
SMILES
CC(C1=NN=NN1C2=CC=CC=C2)Cl
InChI
InChI=1S/C9H9ClN4/c1-7(10)9-11-12-13-14(9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
NDGJFKRTKOOXHR-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-1-phenyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.05157 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.058846 142.1
[M+Na]+ 231.040788 152.1
[M-H]- 207.044294 143.4
[M+NH4]+ 226.085393 157.8
[M+K]+ 247.014728 147.7
[M+H-H2O]+ 191.048830 132.4
[M+HCOO]- 253.049771 157.6
[M+CH3COO]- 267.065421 154.4
[M+Na-2H]- 229.026236 147.5
[M]+ 208.05102142 143.6
[M]- 208.05211858 143.6
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.