CID 6337

Chloroethane

Structural Information

Molecular Formula
C2H5Cl
SMILES
CCCl
InChI
InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
InChIKey
HRYZWHHZPQKTII-UHFFFAOYSA-N
Compound name
chloroethane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

991
References

144977
Patents

64.00798 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 65.015256 105.2
[M+Na]+ 86.997198 114.8
[M-H]- 63.000704 106.1
[M+NH4]+ 82.041803 131.0
[M+K]+ 102.97114 113.8
[M+H-H2O]+ 47.005240 102.9
[M+HCOO]- 109.00618 125.8
[M+CH3COO]- 123.02183 159.3
[M+Na-2H]- 84.982646 114.3
[M]+ 64.007431 106.7
[M]- 64.008529 106.7
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.