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]+ 315.047526 161.2
[M+Na]+ 337.029468 171.9
[M-H]- 313.032974 154.7
[M+NH4]+ 332.074073 171.7
[M+K]+ 353.003408 166.7
[M+H-H2O]+ 297.037510 146.8
[M+HCOO]- 359.038451 169.7
[M+CH3COO]- 373.054101 202.5
[M+Na-2H]- 335.014916 166.2
[M]+ 314.03970142 152.0
[M]- 314.04079858 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.