CID 1390056

Benz(f)isoindoline, 2-ethyl-, hydrobromide

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

CCN1CC2=CC3=CC=CC=C3C=C2C1

InChI

InChI=1S/C14H15N/c1-2-15-9-13-7-11-5-3-4-6-12(11)8-14(13)10-15/h3-8H,2,9-10H2,1H3

InChIKey

FNGJFVQVJHHPHY-UHFFFAOYSA-N

Compound name

2-ethyl-1,3-dihydrobenzo[f]isoindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.12045 Da
Monoisotopic Mass: 2.9
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]+	198.12773	143.6
[M+Na]+	220.10967	158.3
[M+NH4]+	215.15427	154.6
[M+K]+	236.08361	151.0
[M-H]-	196.11317	147.5
[M+Na-2H]-	218.09512	150.4
[M]+	197.11990	146.9
[M]-	197.12100	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe