CID 117943

1,2-dichloro-2-methylpropane

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

444
Patents

126.000305 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.007581 120.9
[M+Na]+ 148.989523 130.5
[M-H]- 124.993029 121.1
[M+NH4]+ 144.034128 144.6
[M+K]+ 164.963463 127.3
[M+H-H2O]+ 108.997565 119.3
[M+HCOO]- 170.998506 134.2
[M+CH3COO]- 185.014156 170.7
[M+Na-2H]- 146.974971 128.5
[M]+ 125.99975642 123.4
[M]- 126.00085358 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