CID 14591043

5-(pentafluoroethyl)-2h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C3HF5N4
SMILES
C1(=NNN=N1)C(C(F)(F)F)(F)F
InChI
InChI=1S/C3HF5N4/c4-2(5,3(6,7)8)1-9-11-12-10-1/h(H,9,10,11,12)
InChIKey
AQRFLATZASBDNT-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.01213 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01941 129.9
[M+Na]+ 211.00135 140.3
[M-H]- 187.00485 121.1
[M+NH4]+ 206.04595 145.0
[M+K]+ 226.97529 137.6
[M+H-H2O]+ 171.00939 118.6
[M+HCOO]- 233.01033 141.7
[M+CH3COO]- 247.02598 176.3
[M+Na-2H]- 208.98680 136.6
[M]+ 188.01158 121.3
[M]- 188.01268 121.3
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

patents stripe