CID 12371

1-chloroheptane

Structural Information

Molecular Formula
C7H15Cl
SMILES
CCCCCCCCl
InChI
InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey
DZMDPHNGKBEVRE-UHFFFAOYSA-N
Compound name
1-chloroheptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3062
Patents

134.08623 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.09351 127.0
[M+Na]+ 157.07545 139.2
[M+NH4]+ 152.12005 136.5
[M+K]+ 173.04939 131.2
[M-H]- 133.07895 127.7
[M+Na-2H]- 155.06090 132.2
[M]+ 134.08568 129.2
[M]- 134.08678 129.2
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