CID 521118

2,2-dichlorobutane

Structural Information

Molecular Formula
C4H8Cl2
SMILES
CCC(C)(Cl)Cl
InChI
InChI=1S/C4H8Cl2/c1-3-4(2,5)6/h3H2,1-2H3
InChIKey
BSRTYNDWQXVCKR-UHFFFAOYSA-N
Compound name
2,2-dichlorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

385
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 120.9
[M+Na]+ 148.98952 130.5
[M-H]- 124.99303 121.1
[M+NH4]+ 144.03413 144.6
[M+K]+ 164.96346 127.3
[M+H-H2O]+ 108.99756 119.3
[M+HCOO]- 170.99851 134.2
[M+CH3COO]- 185.01416 170.7
[M+Na-2H]- 146.97497 128.5
[M]+ 125.99976 123.4
[M]- 126.00085 123.4
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