CID 3044338

Brn 3008890

Structural Information

Molecular Formula
C22H25ClO3
SMILES
CC(C)(C(=O)OC1CCCC1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H25ClO3/c1-22(2,21(24)25-19-5-3-4-6-19)26-20-13-9-17(10-14-20)15-16-7-11-18(23)12-8-16/h7-14,19H,3-6,15H2,1-2H3
InChIKey
XXHYZHKLELFPQE-UHFFFAOYSA-N
Compound name
cyclopentyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.14923 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15651 191.2
[M+Na]+ 395.13845 196.4
[M-H]- 371.14195 200.1
[M+NH4]+ 390.18305 205.5
[M+K]+ 411.11239 191.0
[M+H-H2O]+ 355.14649 183.4
[M+HCOO]- 417.14743 205.7
[M+CH3COO]- 431.16308 214.0
[M+Na-2H]- 393.12390 190.5
[M]+ 372.14868 193.8
[M]- 372.14978 193.8
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

No patent data available for this compound.