CID 11664

1,1-dichloroisobutane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

126.000305 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.00758 120.1
[M+Na]+ 148.98952 128.8
[M-H]- 124.99303 120.1
[M+NH4]+ 144.03413 143.6
[M+K]+ 164.96346 126.1
[M+H-H2O]+ 108.99756 118.2
[M+HCOO]- 170.99851 133.0
[M+CH3COO]- 185.01416 172.0
[M+Na-2H]- 146.97497 124.8
[M]+ 125.99976 121.9
[M]- 126.00085 121.9
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