CID 45142224

930790-62-8

Structural Information

Molecular Formula

C₁₀H₁₂FN

SMILES

CC1(CNC2=C1C=CC(=C2)F)C

InChI

InChI=1S/C10H12FN/c1-10(2)6-12-9-5-7(11)3-4-8(9)10/h3-5,12H,6H2,1-2H3

InChIKey

DBOCDDQLMXSTPI-UHFFFAOYSA-N

Compound name

6-fluoro-3,3-dimethyl-1,2-dihydroindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 165.09538 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]+	166.10266	133.1
[M+Na]+	188.08460	143.1
[M-H]-	164.08810	134.2
[M+NH4]+	183.12920	157.1
[M+K]+	204.05854	139.1
[M+H-H2O]+	148.09264	127.2
[M+HCOO]-	210.09358	152.8
[M+CH3COO]-	224.10923	146.7
[M+Na-2H]-	186.07005	139.0
[M]+	165.09483	130.1
[M]-	165.09593	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe