CID 285163

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

Structural Information

Molecular Formula
C7H5N5O2
SMILES
C1=CC(=CC=C1C2=NNN=N2)[N+](=O)[O-]
InChI
InChI=1S/C7H5N5O2/c13-12(14)6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4H,(H,8,9,10,11)
InChIKey
MIUOBAHGBPSRKY-UHFFFAOYSA-N
Compound name
5-(4-nitrophenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1160
Patents

191.04433 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05161 134.9
[M+Na]+ 214.03355 143.3
[M-H]- 190.03705 136.0
[M+NH4]+ 209.07815 148.9
[M+K]+ 230.00749 136.1
[M+H-H2O]+ 174.04159 130.2
[M+HCOO]- 236.04253 156.7
[M+CH3COO]- 250.05818 172.1
[M+Na-2H]- 212.01900 145.0
[M]+ 191.04378 131.3
[M]- 191.04488 131.3
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