CID 117943

1,2-dichloroisobutane

Structural Information

Molecular Formula
C4H8Cl2
SMILES
CC(C)(CCl)Cl
InChI
InChI=1S/C4H8Cl2/c1-4(2,6)3-5/h3H2,1-2H3
InChIKey
OQPNDCHKFIHPBY-UHFFFAOYSA-N
Compound name
1,2-dichloro-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

369
Patents

126.000305 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.00758 121.3
[M+Na]+ 148.98952 134.2
[M+NH4]+ 144.03413 131.1
[M+K]+ 164.96346 127.5
[M-H]- 124.99303 121.3
[M+Na-2H]- 146.97497 127.1
[M]+ 125.99976 123.8
[M]- 126.00085 123.8
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