CID 28602439

1021142-80-2

Structural Information

Molecular Formula
C3H3F3N4
SMILES
C(C1=NNN=N1)C(F)(F)F
InChI
InChI=1S/C3H3F3N4/c4-3(5,6)1-2-7-9-10-8-2/h1H2,(H,7,8,9,10)
InChIKey
AUAYQCGQHJOVPA-UHFFFAOYSA-N
Compound name
5-(2,2,2-trifluoroethyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

152.03098 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.038256 124.6
[M+Na]+ 175.020198 134.7
[M-H]- 151.023704 118.0
[M+NH4]+ 170.064803 141.3
[M+K]+ 190.994138 132.4
[M+H-H2O]+ 135.028240 114.5
[M+HCOO]- 197.029181 140.2
[M+CH3COO]- 211.044831 170.0
[M+Na-2H]- 173.005646 131.7
[M]+ 152.03043142 119.1
[M]- 152.03152858 119.1
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