CID 81877610

Decahydronaphthalene-2-carbonyl chloride

Structural Information

Molecular Formula
C11H17ClO
SMILES
C1CCC2CC(CCC2C1)C(=O)Cl
InChI
InChI=1S/C11H17ClO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2
InChIKey
VLDICQZVHFZVNO-UHFFFAOYSA-N
Compound name
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.09679 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10407 144.1
[M+Na]+ 223.08601 148.6
[M-H]- 199.08951 146.9
[M+NH4]+ 218.13061 164.8
[M+K]+ 239.05995 144.9
[M+H-H2O]+ 183.09405 139.2
[M+HCOO]- 245.09499 155.5
[M+CH3COO]- 259.11064 183.6
[M+Na-2H]- 221.07146 147.0
[M]+ 200.09624 138.7
[M]- 200.09734 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe