CID 10487304

1026934-69-9

Structural Information

Molecular Formula

C₉H₁₃FN₂

SMILES

CC(C)NC1=C(C=CC(=C1)F)N

InChI

InChI=1S/C9H13FN2/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6,12H,11H2,1-2H3

InChIKey

KVWKNKQHTOSTMO-UHFFFAOYSA-N

Compound name

4-fluoro-2-N-propan-2-ylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 168.10628 Da
Monoisotopic Mass: 2.1
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]+	169.11356	135.2
[M+Na]+	191.09550	145.7
[M+NH4]+	186.14010	143.3
[M+K]+	207.06944	139.9
[M-H]-	167.09900	137.2
[M+Na-2H]-	189.08095	141.3
[M]+	168.10573	137.0
[M]-	168.10683	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe