CID 156600083

Ns00114969

Structural Information

Molecular Formula
C8H13F3N3
SMILES
CCCN1C=[N+](C=N1)CCC(F)(F)F
InChI
InChI=1S/C8H13F3N3/c1-2-4-14-7-13(6-12-14)5-3-8(9,10)11/h6-7H,2-5H2,1H3/q+1
InChIKey
ZBBZQMKRFQTLDK-UHFFFAOYSA-N
Compound name
1-propyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10616 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11344 141.3
[M+Na]+ 231.09538 150.6
[M-H]- 207.09888 137.5
[M+NH4]+ 226.13998 158.1
[M+K]+ 247.06932 142.9
[M+H-H2O]+ 191.10342 134.1
[M+HCOO]- 253.10436 158.0
[M+CH3COO]- 267.12001 179.3
[M+Na-2H]- 229.08083 148.6
[M]+ 208.10561 138.1
[M]- 208.10671 138.1
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

No patent data available for this compound.