CID 283412

5-(heptafluoropropyl)-1-phenyl-1h-tetrazole

Structural Information

Molecular Formula
C10H5F7N4
SMILES
C1=CC=C(C=C1)N2C(=NN=N2)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F7N4/c11-8(12,9(13,14)10(15,16)17)7-18-19-20-21(7)6-4-2-1-3-5-6/h1-5H
InChIKey
OSBXTOJUJNHUFN-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyltetrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

314.04025 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04753 161.2
[M+Na]+ 337.02947 171.9
[M-H]- 313.03297 154.7
[M+NH4]+ 332.07407 171.7
[M+K]+ 353.00341 166.7
[M+H-H2O]+ 297.03751 146.8
[M+HCOO]- 359.03845 169.7
[M+CH3COO]- 373.05410 202.5
[M+Na-2H]- 335.01492 166.2
[M]+ 314.03970 152.0
[M]- 314.04080 152.0
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.