CID 44589533

5-(3-iodophenyl)-2h-tetrazole

Structural Information

Molecular Formula
C7H5IN4
SMILES
C1=CC(=CC(=C1)I)C2=NNN=N2
InChI
InChI=1S/C7H5IN4/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey
LDEPEQBYFPLWNZ-UHFFFAOYSA-N
Compound name
5-(3-iodophenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

271.9559 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.963176 133.6
[M+Na]+ 294.945118 136.5
[M-H]- 270.948624 127.2
[M+NH4]+ 289.989723 145.0
[M+K]+ 310.919058 138.5
[M+H-H2O]+ 254.953160 121.3
[M+HCOO]- 316.954101 149.2
[M+CH3COO]- 330.969751 142.3
[M+Na-2H]- 292.930566 129.8
[M]+ 271.95535142 129.3
[M]- 271.95644858 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

literature stripe

Patent stripe

patents stripe