CID 2777350

216144-09-1

Structural Information

Molecular Formula
C8H5F3N4O
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)C2=NNN=N2
InChI
InChI=1S/C8H5F3N4O/c9-8(10,11)16-6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChIKey
YKYWVXHVSVSQOX-UHFFFAOYSA-N
Compound name
5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

230.04155 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.048826 143.6
[M+Na]+ 253.030768 153.8
[M-H]- 229.034274 140.4
[M+NH4]+ 248.075373 157.0
[M+K]+ 269.004708 149.5
[M+H-H2O]+ 213.038810 132.1
[M+HCOO]- 275.039751 159.2
[M+CH3COO]- 289.055401 183.6
[M+Na-2H]- 251.016216 149.9
[M]+ 230.04100142 139.4
[M]- 230.04209858 139.4
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