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]+ 189.019406 129.9
[M+Na]+ 211.001348 140.3
[M-H]- 187.004854 121.1
[M+NH4]+ 206.045953 145.0
[M+K]+ 226.975288 137.6
[M+H-H2O]+ 171.009390 118.6
[M+HCOO]- 233.010331 141.7
[M+CH3COO]- 247.025981 176.3
[M+Na-2H]- 208.986796 136.6
[M]+ 188.01158142 121.3
[M]- 188.01267858 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