CID 84262

5-chloro-1-phenyl-1h-tetrazole

Structural Information

Molecular Formula
C7H5ClN4
SMILES
C1=CC=C(C=C1)N2C(=NN=N2)Cl
InChI
InChI=1S/C7H5ClN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H
InChIKey
DHELIGKVOGTMGF-UHFFFAOYSA-N
Compound name
5-chloro-1-phenyltetrazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

791
Patents

180.02028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.027556 133.1
[M+Na]+ 203.009498 144.3
[M-H]- 179.013004 134.6
[M+NH4]+ 198.054103 150.1
[M+K]+ 218.983438 140.0
[M+H-H2O]+ 163.017540 123.8
[M+HCOO]- 225.018481 150.3
[M+CH3COO]- 239.034131 146.4
[M+Na-2H]- 200.994946 140.8
[M]+ 180.01973142 134.5
[M]- 180.02082858 134.5
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