CID 135743630

1316695-35-8

Structural Information

Molecular Formula
C11H8FN5
SMILES
C1=CC2=C(C=C1F)NC=C2/C=C/C3=NNN=N3
InChI
InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)/b4-1+
InChIKey
JDBSZVDIUIRSDG-DAFODLJHSA-N
Compound name
6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

13
Patents

229.07637 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08365 148.0
[M+Na]+ 252.06559 159.7
[M-H]- 228.06909 146.5
[M+NH4]+ 247.11019 162.6
[M+K]+ 268.03953 152.6
[M+H-H2O]+ 212.07363 137.9
[M+HCOO]- 274.07457 165.7
[M+CH3COO]- 288.09022 159.3
[M+Na-2H]- 250.05104 152.6
[M]+ 229.07582 146.0
[M]- 229.07692 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe