CID 80212

1,1-dichloro-3,3-dimethylbutane

Structural Information

Molecular Formula
C6H12Cl2
SMILES
CC(C)(C)CC(Cl)Cl
InChI
InChI=1S/C6H12Cl2/c1-6(2,3)4-5(7)8/h5H,4H2,1-3H3
InChIKey
BLRPQFOUUPCTED-UHFFFAOYSA-N
Compound name
1,1-dichloro-3,3-dimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

154.0316 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03888 130.8
[M+Na]+ 177.02082 143.0
[M+NH4]+ 172.06542 140.1
[M+K]+ 192.99476 136.5
[M-H]- 153.02432 130.5
[M+Na-2H]- 175.00627 135.6
[M]+ 154.03105 133.1
[M]- 154.03215 133.1
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