CID 72701793

2089257-17-8

Structural Information

Molecular Formula
C6H8F3N5
SMILES
C1CC(NC1)(C2=NNN=N2)C(F)(F)F
InChI
InChI=1S/C6H8F3N5/c7-6(8,9)5(2-1-3-10-5)4-11-13-14-12-4/h10H,1-3H2,(H,11,12,13,14)
InChIKey
MRPRLHPJZBVJJP-UHFFFAOYSA-N
Compound name
5-[2-(trifluoromethyl)pyrrolidin-2-yl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.07318 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08046 139.0
[M+Na]+ 230.06240 147.4
[M-H]- 206.06590 133.1
[M+NH4]+ 225.10700 154.7
[M+K]+ 246.03634 144.1
[M+H-H2O]+ 190.07044 128.0
[M+HCOO]- 252.07138 150.5
[M+CH3COO]- 266.08703 148.8
[M+Na-2H]- 228.04785 142.9
[M]+ 207.07263 129.5
[M]- 207.07373 129.5
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.