CID 6423

Chloropicrin

Structural Information

Molecular Formula

SMILES

C([N+](=O)[O-])(Cl)(Cl)Cl

InChI

InChI=1S/CCl3NO2/c2-1(3,4)5(6)7

InChIKey

LFHISGNCFUNFFM-UHFFFAOYSA-N

Compound name

trichloro(nitro)methane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 251
References: 21284
Patents: 162.89946 Da
Monoisotopic Mass: 2.1
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]+	163.90674	123.9
[M+Na]+	185.88868	137.0
[M+NH4]+	180.93328	132.6
[M+K]+	201.86262	133.7
[M-H]-	161.89218	124.0
[M+Na-2H]-	183.87413	129.0
[M]+	162.89891	126.5
[M]-	162.90001	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe