CID 154718542

1872262-72-0

Structural Information

Molecular Formula

C₁₅H₁₃F₂NO₄

SMILES

C1CC(CCC1C(=O)ON2C(=O)C3=CC=CC=C3C2=O)(F)F

InChI

InChI=1S/C15H13F2NO4/c16-15(17)7-5-9(6-8-15)14(21)22-18-12(19)10-3-1-2-4-11(10)13(18)20/h1-4,9H,5-8H2

InChIKey

ZTOPFFVLZBWOKH-UHFFFAOYSA-N

Compound name

(1,3-dioxoisoindol-2-yl) 4,4-difluorocyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 309.08127 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	310.08855	165.7
[M+Na]+	332.07049	174.2
[M-H]-	308.07399	169.4
[M+NH4]+	327.11509	183.7
[M+K]+	348.04443	170.4
[M+H-H2O]+	292.07853	157.1
[M+HCOO]-	354.07947	181.4
[M+CH3COO]-	368.09512	202.3
[M+Na-2H]-	330.05594	166.0
[M]+	309.08072	162.2
[M]-	309.08182	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe