CID 141477

2-chloro-2,5-dimethylhexane

Structural Information

Molecular Formula
C8H17Cl
SMILES
CC(C)CCC(C)(C)Cl
InChI
InChI=1S/C8H17Cl/c1-7(2)5-6-8(3,4)9/h7H,5-6H2,1-4H3
InChIKey
SVRDRJZPEYTXKX-UHFFFAOYSA-N
Compound name
2-chloro-2,5-dimethylhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

148.10188 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10916 133.0
[M+Na]+ 171.09110 140.5
[M-H]- 147.09460 133.4
[M+NH4]+ 166.13570 155.7
[M+K]+ 187.06504 138.4
[M+H-H2O]+ 131.09914 130.1
[M+HCOO]- 193.10008 149.2
[M+CH3COO]- 207.11573 178.5
[M+Na-2H]- 169.07655 138.1
[M]+ 148.10133 135.7
[M]- 148.10243 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe