CID 66698384

1-(4-chloro-2-iodophenyl)-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C7H4ClIN4
SMILES
C1=CC(=C(C=C1Cl)I)N2C=NN=N2
InChI
InChI=1S/C7H4ClIN4/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H
InChIKey
VKZKORPAINUQAT-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-iodophenyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

305.91693 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.924206 135.7
[M+Na]+ 328.906148 140.4
[M-H]- 304.909654 130.5
[M+NH4]+ 323.950753 147.5
[M+K]+ 344.880088 141.7
[M+H-H2O]+ 288.914190 123.3
[M+HCOO]- 350.915131 148.2
[M+CH3COO]- 364.930781 144.9
[M+Na-2H]- 326.891596 131.4
[M]+ 305.91638142 135.1
[M]- 305.91747858 135.1
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