CID 2759646

1-(4-methoxyphenyl)cyclohexanecarbonyl chloride

Structural Information

Molecular Formula
C14H17ClO2
SMILES
COC1=CC=C(C=C1)C2(CCCCC2)C(=O)Cl
InChI
InChI=1S/C14H17ClO2/c1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKey
VPVMRAQKXMQQSY-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)cyclohexane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

252.0917 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09898 155.8
[M+Na]+ 275.08092 162.0
[M-H]- 251.08442 161.8
[M+NH4]+ 270.12552 175.3
[M+K]+ 291.05486 158.1
[M+H-H2O]+ 235.08896 150.0
[M+HCOO]- 297.08990 171.1
[M+CH3COO]- 311.10555 191.5
[M+Na-2H]- 273.06637 159.6
[M]+ 252.09115 155.0
[M]- 252.09225 155.0
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