CID 12288323

5-(4-iodophenyl)-1h-tetrazole

Structural Information

Molecular Formula
C7H5IN4
SMILES
C1=CC(=CC=C1C2=NNN=N2)I
InChI
InChI=1S/C7H5IN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey
HAHMPMXOMXURJC-UHFFFAOYSA-N
Compound name
5-(4-iodophenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

271.9559 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.96318 133.6
[M+Na]+ 294.94512 136.5
[M-H]- 270.94862 127.2
[M+NH4]+ 289.98972 145.0
[M+K]+ 310.91906 138.5
[M+H-H2O]+ 254.95316 121.3
[M+HCOO]- 316.95410 149.2
[M+CH3COO]- 330.96975 142.3
[M+Na-2H]- 292.93057 129.8
[M]+ 271.95535 129.3
[M]- 271.95645 129.3
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

patents stripe