CID 6327

Chloromethane

Structural Information

Molecular Formula
CH3Cl
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

404
References

78968
Patents

49.99233 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.