CID 7010312

92712-49-7

Structural Information

Molecular Formula

C₇H₄Cl₂N₄

SMILES

C1=C(C=C(C=C1Cl)Cl)C2=NNN=N2

InChI

InChI=1S/C7H4Cl2N4/c8-5-1-4(2-6(9)3-5)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)

InChIKey

VCYMSAGOTYBIHM-UHFFFAOYSA-N

Compound name

5-(3,5-dichlorophenyl)-2H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 213.98131 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.98859	139.4
[M+Na]+	236.97053	151.1
[M-H]-	212.97403	139.0
[M+NH4]+	232.01513	154.9
[M+K]+	252.94447	144.9
[M+H-H2O]+	196.97857	130.6
[M+HCOO]-	258.97951	149.7
[M+CH3COO]-	272.99516	151.4
[M+Na-2H]-	234.95598	144.9
[M]+	213.98076	140.1
[M]-	213.98186	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe