CID 241493

2,2-dichloro-3,3-dimethylbutane

Structural Information

Molecular Formula
C6H12Cl2
SMILES
CC(C)(C)C(C)(Cl)Cl
InChI
InChI=1S/C6H12Cl2/c1-5(2,3)6(4,7)8/h1-4H3
InChIKey
QMQRQQASVUFJGS-UHFFFAOYSA-N
Compound name
2,2-dichloro-3,3-dimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

154.0316 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03888 129.9
[M+Na]+ 177.02082 139.2
[M-H]- 153.02432 130.3
[M+NH4]+ 172.06542 152.7
[M+K]+ 192.99476 135.8
[M+H-H2O]+ 137.02886 128.4
[M+HCOO]- 199.02980 141.0
[M+CH3COO]- 213.04545 176.4
[M+Na-2H]- 175.00627 137.1
[M]+ 154.03105 132.6
[M]- 154.03215 132.6
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