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

30
Patents

152.03098 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03826 124.6
[M+Na]+ 175.02020 134.7
[M-H]- 151.02370 118.0
[M+NH4]+ 170.06480 141.3
[M+K]+ 190.99414 132.4
[M+H-H2O]+ 135.02824 114.5
[M+HCOO]- 197.02918 140.2
[M+CH3COO]- 211.04483 170.0
[M+Na-2H]- 173.00565 131.7
[M]+ 152.03043 119.1
[M]- 152.03153 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