CID 53402594

4-bromo-3,3-dimethylindolin-2-one

Structural Information

Molecular Formula

C₁₀H₁₀BrNO

SMILES

CC1(C2=C(C=CC=C2Br)NC1=O)C

InChI

InChI=1S/C10H10BrNO/c1-10(2)8-6(11)4-3-5-7(8)12-9(10)13/h3-5H,1-2H3,(H,12,13)

InChIKey

JOYAZIZUUBNQFV-UHFFFAOYSA-N

Compound name

4-bromo-3,3-dimethyl-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 238.99458 Da
Monoisotopic Mass: 2.4
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]+	240.001856	143.8
[M+Na]+	261.983798	157.8
[M-H]-	237.987304	149.4
[M+NH4]+	257.028403	168.5
[M+K]+	277.957738	145.8
[M+H-H2O]+	221.991840	145.3
[M+HCOO]-	283.992781	162.7
[M+CH3COO]-	298.008431	186.5
[M+Na-2H]-	259.969246	150.7
[M]+	238.99403142	161.9
[M]-	238.99512858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe