CID 10926

1,1-dichlorobutane

Structural Information

Molecular Formula
C4H8Cl2
SMILES
CCCC(Cl)Cl
InChI
InChI=1S/C4H8Cl2/c1-2-3-4(5)6/h4H,2-3H2,1H3
InChIKey
SEQRDAAUNCRFIT-UHFFFAOYSA-N
Compound name
1,1-dichlorobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5533
Patents

126.000305 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.00758 120.6
[M+Na]+ 148.98952 129.5
[M-H]- 124.99303 120.4
[M+NH4]+ 144.03413 144.1
[M+K]+ 164.96346 126.4
[M+H-H2O]+ 108.99756 118.5
[M+HCOO]- 170.99851 134.4
[M+CH3COO]- 185.01416 171.2
[M+Na-2H]- 146.97497 126.5
[M]+ 125.99976 122.9
[M]- 126.00085 122.9
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