CID 75938

Cyclohexanecarbonyl chloride

Structural Information

Molecular Formula
C7H11ClO
SMILES
C1CCC(CC1)C(=O)Cl
InChI
InChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
RVOJTCZRIKWHDX-UHFFFAOYSA-N
Compound name
cyclohexanecarbonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

11096
Patents

146.04984 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.057116 128.8
[M+Na]+ 169.039058 134.7
[M-H]- 145.042564 131.5
[M+NH4]+ 164.083663 150.6
[M+K]+ 185.012998 132.3
[M+H-H2O]+ 129.047100 124.5
[M+HCOO]- 191.048041 144.5
[M+CH3COO]- 205.063691 172.3
[M+Na-2H]- 167.024506 133.4
[M]+ 146.04929142 125.6
[M]- 146.05038858 125.6
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