CID 2775315

1,4-dichloro-4-methylpentane

Structural Information

Molecular Formula
C6H12Cl2
SMILES
CC(C)(CCCCl)Cl
InChI
InChI=1S/C6H12Cl2/c1-6(2,8)4-3-5-7/h3-5H2,1-2H3
InChIKey
QMQDOJKBGXQCRR-UHFFFAOYSA-N
Compound name
1,4-dichloro-4-methylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.0316 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03888 130.3
[M+Na]+ 177.02082 142.8
[M+NH4]+ 172.06542 139.7
[M+K]+ 192.99476 135.6
[M-H]- 153.02432 130.2
[M+Na-2H]- 175.00627 135.5
[M]+ 154.03105 132.7
[M]- 154.03215 132.7
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