CID 82081007

5-[2-(2-chloro-6-fluorophenyl)ethyl]-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C9H8ClFN4
SMILES
C1=CC(=C(C(=C1)Cl)CCC2=NNN=N2)F
InChI
InChI=1S/C9H8ClFN4/c10-7-2-1-3-8(11)6(7)4-5-9-12-14-15-13-9/h1-3H,4-5H2,(H,12,13,14,15)
InChIKey
HASXWOUSLCVRFV-UHFFFAOYSA-N
Compound name
5-[2-(2-chloro-6-fluorophenyl)ethyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04214 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04942 144.6
[M+Na]+ 249.03136 155.5
[M-H]- 225.03486 143.5
[M+NH4]+ 244.07596 159.3
[M+K]+ 265.00530 149.3
[M+H-H2O]+ 209.03940 134.5
[M+HCOO]- 271.04034 158.6
[M+CH3COO]- 285.05599 156.2
[M+Na-2H]- 247.01681 149.5
[M]+ 226.04159 144.3
[M]- 226.04269 144.3
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.