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

9
Patents

230.04155 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04883 143.6
[M+Na]+ 253.03077 153.8
[M-H]- 229.03427 140.4
[M+NH4]+ 248.07537 157.0
[M+K]+ 269.00471 149.5
[M+H-H2O]+ 213.03881 132.1
[M+HCOO]- 275.03975 159.2
[M+CH3COO]- 289.05540 183.6
[M+Na-2H]- 251.01622 149.9
[M]+ 230.04100 139.4
[M]- 230.04210 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