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]+ 209.05885 142.1
[M+Na]+ 231.04079 152.1
[M-H]- 207.04429 143.4
[M+NH4]+ 226.08539 157.8
[M+K]+ 247.01473 147.7
[M+H-H2O]+ 191.04883 132.4
[M+HCOO]- 253.04977 157.6
[M+CH3COO]- 267.06542 154.4
[M+Na-2H]- 229.02624 147.5
[M]+ 208.05102 143.6
[M]- 208.05212 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.