CID 12378905

1-phenylcyclopentane-1-carbonyl chloride

Structural Information

Molecular Formula
C12H13ClO
SMILES
C1CCC(C1)(C2=CC=CC=C2)C(=O)Cl
InChI
InChI=1S/C12H13ClO/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey
NOYKUYNVZHTPCI-UHFFFAOYSA-N
Compound name
1-phenylcyclopentane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

208.06549 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.072766 146.3
[M+Na]+ 231.054708 153.5
[M-H]- 207.058214 152.6
[M+NH4]+ 226.099313 169.2
[M+K]+ 247.028648 149.1
[M+H-H2O]+ 191.062750 141.1
[M+HCOO]- 253.063691 164.1
[M+CH3COO]- 267.079341 182.1
[M+Na-2H]- 229.040156 150.1
[M]+ 208.06494142 145.0
[M]- 208.06603858 145.0
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