CID 265259

Nsc101116

Structural Information

Molecular Formula
C16H15ClO3
SMILES
CCOC(=O)C(C1(CC2=CC=CC3=C2C1=CC=C3)O)Cl
InChI
InChI=1S/C16H15ClO3/c1-2-20-15(18)14(17)16(19)9-11-7-3-5-10-6-4-8-12(16)13(10)11/h3-8,14,19H,2,9H2,1H3
InChIKey
RQCJQRRUSXHOAU-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-2-(1-hydroxy-2H-acenaphthylen-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.07098 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07826 165.9
[M+Na]+ 313.06020 174.8
[M-H]- 289.06370 169.4
[M+NH4]+ 308.10480 187.9
[M+K]+ 329.03414 169.5
[M+H-H2O]+ 273.06824 161.4
[M+HCOO]- 335.06918 179.9
[M+CH3COO]- 349.08483 198.2
[M+Na-2H]- 311.04565 169.8
[M]+ 290.07043 170.7
[M]- 290.07153 170.7
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

No patent data available for this compound.