CID 135475583

98377-35-6

Structural Information

Molecular Formula
C7H5ClN4O
SMILES
C1=CC=C(C(=C1)N2C(=O)NN=N2)Cl
InChI
InChI=1S/C7H5ClN4O/c8-5-3-1-2-4-6(5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)
InChIKey
NTLCSWYRVIMNEI-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-1H-tetrazol-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

112
Patents

196.01518 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.022456 136.6
[M+Na]+ 219.004398 148.5
[M-H]- 195.007904 137.3
[M+NH4]+ 214.049003 152.4
[M+K]+ 234.978338 143.1
[M+H-H2O]+ 179.012440 127.9
[M+HCOO]- 241.013381 152.7
[M+CH3COO]- 255.029031 149.4
[M+Na-2H]- 216.989846 142.9
[M]+ 196.01463142 137.2
[M]- 196.01572858 137.2
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