CID 497162

5-(2-chlorophenyl)-2-(3-iodoprop-2-ynyl)tetrazole

Structural Information

Molecular Formula
C10H6ClIN4
SMILES
C1=CC=C(C(=C1)C2=NN(N=N2)CC#CI)Cl
InChI
InChI=1S/C10H6ClIN4/c11-9-5-2-1-4-8(9)10-13-15-16(14-10)7-3-6-12/h1-2,4-5H,7H2
InChIKey
XTEPZMVDAXCERN-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-2-(3-iodoprop-2-ynyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

343.93256 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.93984 144.3
[M+Na]+ 366.92178 149.9
[M-H]- 342.92528 136.6
[M+NH4]+ 361.96638 152.7
[M+K]+ 382.89572 148.5
[M+H-H2O]+ 326.92982 125.5
[M+HCOO]- 388.93076 150.8
[M+CH3COO]- 402.94641 150.7
[M+Na-2H]- 364.90723 138.3
[M]+ 343.93201 138.3
[M]- 343.93311 138.3
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