CID 11

1,2-dichloroethane

Structural Information

Molecular Formula
C2H4Cl2
SMILES
C(CCl)Cl
InChI
InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
InChIKey
WSLDOOZREJYCGB-UHFFFAOYSA-N
Compound name
1,2-dichloroethane
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

1070
References

88509
Patents

97.969 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.976276 111.4
[M+Na]+ 120.95822 121.2
[M-H]- 96.961724 111.4
[M+NH4]+ 116.00282 135.9
[M+K]+ 136.93216 118.3
[M+H-H2O]+ 80.966260 109.6
[M+HCOO]- 142.96720 126.7
[M+CH3COO]- 156.98285 164.5
[M+Na-2H]- 118.94367 119.5
[M]+ 97.968451 113.5
[M]- 97.969549 113.5
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.