CID 388837

908072-81-1

Structural Information

Molecular Formula

C₃H₂ClN₃O₂

SMILES

C1(=NNN=C1Cl)C(=O)O

InChI

InChI=1S/C3H2ClN3O2/c4-2-1(3(8)9)5-7-6-2/h(H,8,9)(H,5,6,7)

InChIKey

RONLJTWPNUWVKD-UHFFFAOYSA-N

Compound name

5-chloro-2H-triazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 146.98355 Da
Monoisotopic Mass: 0.4
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]+	147.99083	123.8
[M+Na]+	169.97277	135.0
[M+NH4]+	165.01737	130.1
[M+K]+	185.94671	133.1
[M-H]-	145.97627	121.4
[M+Na-2H]-	167.95822	128.1
[M]+	146.98300	124.5
[M]-	146.98410	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe