CID 12288323

53324-36-0

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

31
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

No literature data available for this compound.

Patent stripe

patents stripe