CID 421708

1702-15-4

Structural Information

Molecular Formula
C2HF3N4
SMILES
C1(=NNN=N1)C(F)(F)F
InChI
InChI=1S/C2HF3N4/c3-2(4,5)1-6-8-9-7-1/h(H,6,7,8,9)
InChIKey
FOEPLOQMUWYHBM-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

367
Patents

138.01534 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.02262 120.1
[M+Na]+ 161.00456 130.6
[M-H]- 137.00806 113.6
[M+NH4]+ 156.04916 137.3
[M+K]+ 176.97850 128.5
[M+H-H2O]+ 121.01260 110.2
[M+HCOO]- 183.01354 136.0
[M+CH3COO]- 197.02919 167.0
[M+Na-2H]- 158.99001 127.7
[M]+ 138.01479 114.2
[M]- 138.01589 114.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe