CID 15007315

131648-21-0

Structural Information

Molecular Formula

C₉H₇ClN₄O₂

SMILES

C1=CC=C(C(=C1)C2=NN=NN2CC(=O)O)Cl

InChI

InChI=1S/C9H7ClN4O2/c10-7-4-2-1-3-6(7)9-11-12-13-14(9)5-8(15)16/h1-4H,5H2,(H,15,16)

InChIKey

QEDKGBFNWSTYHU-UHFFFAOYSA-N

Compound name

2-[5-(2-chlorophenyl)tetrazol-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 238.02576 Da
Monoisotopic Mass: 1.6
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]+	239.03304	147.3
[M+Na]+	261.01498	157.8
[M-H]-	237.01848	147.9
[M+NH4]+	256.05958	161.2
[M+K]+	276.98892	153.1
[M+H-H2O]+	221.02302	138.2
[M+HCOO]-	283.02396	162.0
[M+CH3COO]-	297.03961	185.7
[M+Na-2H]-	259.00043	151.6
[M]+	238.02521	149.5
[M]-	238.02631	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe