CID 138224

2-chloro-2-methylhexane

Structural Information

Molecular Formula
C7H15Cl
SMILES
CCCCC(C)(C)Cl
InChI
InChI=1S/C7H15Cl/c1-4-5-6-7(2,3)8/h4-6H2,1-3H3
InChIKey
KBOBQLJBYKKAPN-UHFFFAOYSA-N
Compound name
2-chloro-2-methylhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

134.08623 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.09351 128.4
[M+Na]+ 157.07545 140.3
[M+NH4]+ 152.12005 137.7
[M+K]+ 173.04939 133.5
[M-H]- 133.07895 128.5
[M+Na-2H]- 155.06090 133.4
[M]+ 134.08568 130.5
[M]- 134.08678 130.5
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