CID 91952

7-chloro-1-heptanol

Structural Information

Molecular Formula
C7H15ClO
SMILES
C(CCCO)CCCCl
InChI
InChI=1S/C7H15ClO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2
InChIKey
DPNLUCKAZIFDLB-UHFFFAOYSA-N
Compound name
7-chloroheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

150.08115 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08843 132.5
[M+Na]+ 173.07037 139.6
[M-H]- 149.07387 131.0
[M+NH4]+ 168.11497 154.1
[M+K]+ 189.04431 136.5
[M+H-H2O]+ 133.07841 129.1
[M+HCOO]- 195.07935 150.2
[M+CH3COO]- 209.09500 173.5
[M+Na-2H]- 171.05582 138.1
[M]+ 150.08060 135.4
[M]- 150.08170 135.4
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