CID 114934

14545-72-3

Structural Information

Molecular Formula

SMILES

[N+](=O)([O-])OCl

InChI

InChI=1S/ClNO3/c1-5-2(3)4

InChIKey

XYLGPCWDPLOBGP-UHFFFAOYSA-N

Compound name

chloro nitrate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8600
Patents: 96.95667 Da
Monoisotopic Mass: 1.3
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]+	97.963946	108.8
[M+Na]+	119.945888	118.2
[M-H]-	95.949394	109.7
[M+NH4]+	114.990493	132.2
[M+K]+	135.919828	114.3
[M+H-H2O]+	79.953930	111.0
[M+HCOO]-	141.954871	131.6
[M+CH3COO]-	155.970521	156.2
[M+Na-2H]-	117.931336	119.2
[M]+	96.95612142	110.0
[M]-	96.95721858	110.0

Literature stripe

literature stripe

Patent stripe

patents stripe