CID 118419

1-chloro-5-methylhexane

Structural Information

Molecular Formula
C7H15Cl
SMILES
CC(C)CCCCCl
InChI
InChI=1S/C7H15Cl/c1-7(2)5-3-4-6-8/h7H,3-6H2,1-2H3
InChIKey
YESHSLGUAPTMLI-UHFFFAOYSA-N
Compound name
1-chloro-5-methylhexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

128
Patents

134.08623 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.09351 127.5
[M+Na]+ 157.07545 139.4
[M+NH4]+ 152.12005 137.0
[M+K]+ 173.04939 132.3
[M-H]- 133.07895 128.1
[M+Na-2H]- 155.06090 132.4
[M]+ 134.08568 129.6
[M]- 134.08678 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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