CID 12556870

Cycloheptanecarbonyl chloride

Structural Information

Molecular Formula
C8H13ClO
SMILES
C1CCCC(CC1)C(=O)Cl
InChI
InChI=1S/C8H13ClO/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2
InChIKey
CIYPNZYEUZQIHN-UHFFFAOYSA-N
Compound name
cycloheptanecarbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

435
Patents

160.06549 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07277 127.5
[M+Na]+ 183.05471 131.8
[M-H]- 159.05821 131.0
[M+NH4]+ 178.09931 147.4
[M+K]+ 199.02865 133.5
[M+H-H2O]+ 143.06275 123.3
[M+HCOO]- 205.06369 142.6
[M+CH3COO]- 219.07934 177.5
[M+Na-2H]- 181.04016 131.7
[M]+ 160.06494 121.7
[M]- 160.06604 121.7
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