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
1
Annotation Hits

0
References

85
Patents

196.01518 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02246 136.6
[M+Na]+ 219.00440 148.5
[M-H]- 195.00790 137.3
[M+NH4]+ 214.04900 152.4
[M+K]+ 234.97834 143.1
[M+H-H2O]+ 179.01244 127.9
[M+HCOO]- 241.01338 152.7
[M+CH3COO]- 255.02903 149.4
[M+Na-2H]- 216.98985 142.9
[M]+ 196.01463 137.2
[M]- 196.01573 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