CID 24233

2,3-dichlorobutane

Structural Information

Molecular Formula
C4H8Cl2
SMILES
CC(C(C)Cl)Cl
InChI
InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3
InChIKey
RMISVOPUIFJTEO-UHFFFAOYSA-N
Compound name
2,3-dichlorobutane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

716
Patents

126.000305 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.00758 120.3
[M+Na]+ 148.98952 132.9
[M+NH4]+ 144.03413 130.0
[M+K]+ 164.96346 126.6
[M-H]- 124.99303 120.6
[M+Na-2H]- 146.97497 125.6
[M]+ 125.99976 122.7
[M]- 126.00085 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe