CID 2769342

97760-98-0

Structural Information

Molecular Formula

C₉H₇F₃INO

SMILES

CC(=O)NC1=C(C=C(C=C1)I)C(F)(F)F

InChI

InChI=1S/C9H7F3INO/c1-5(15)14-8-3-2-6(13)4-7(8)9(10,11)12/h2-4H,1H3,(H,14,15)

InChIKey

DLROSNQUSLJYBU-UHFFFAOYSA-N

Compound name

N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 328.95245 Da
Monoisotopic Mass: 1.8
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]+	329.95973	160.5
[M+Na]+	351.94167	162.2
[M+NH4]+	346.98627	161.9
[M+K]+	367.91561	160.1
[M-H]-	327.94517	152.3
[M+Na-2H]-	349.92712	152.5
[M]+	328.95190	157.1
[M]-	328.95300	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe