CID 463090

1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)tetrazol-5-yl]disulfanyl]tetrazole

Structural Information

Molecular Formula
C14H8F2N8S2
SMILES
C1=CC(=CC=C1N2C(=NN=N2)SSC3=NN=NN3C4=CC=C(C=C4)F)F
InChI
InChI=1S/C14H8F2N8S2/c15-9-1-5-11(6-2-9)23-13(17-19-21-23)25-26-14-18-20-22-24(14)12-7-3-10(16)4-8-12/h1-8H
InChIKey
PJWIHHWXIPGBSR-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)tetrazol-5-yl]disulfanyl]tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.02814 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.03542 175.9
[M+Na]+ 413.01736 192.6
[M-H]- 389.02086 179.4
[M+NH4]+ 408.06196 182.4
[M+K]+ 428.99130 182.8
[M+H-H2O]+ 373.02540 165.9
[M+HCOO]- 435.02634 184.5
[M+CH3COO]- 449.04199 186.0
[M+Na-2H]- 411.00281 173.8
[M]+ 390.02759 180.3
[M]- 390.02869 180.3
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.