CID 6327

Chloromethane

Structural Information

Molecular Formula

SMILES

CCl

InChI

InChI=1S/CH3Cl/c1-2/h1H3

InChIKey

NEHMKBQYUWJMIP-UHFFFAOYSA-N

Compound name

chloromethane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 403
References: 156867
Patents: 49.99233 Da
Monoisotopic Mass: 0.8
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]+	50.999606	100.3
[M+Na]+	72.981548	110.2
[M-H]-	48.985054	101.3
[M+NH4]+	68.026153	126.5
[M+K]+	88.955488	109.4
[M+H-H2O]+	32.989590	98.1
[M+HCOO]-	94.990531	121.1
[M+CH3COO]-	109.00618	157.0
[M+Na-2H]-	70.966996	110.0
[M]+	49.991781	101.4
[M]-	49.992879	101.4

Literature stripe

literature stripe

Patent stripe

patents stripe