CID 737095

61988-37-2

Structural Information

Molecular Formula

C₈H₈F₄N₂O

SMILES

C1=CC(=C(C=C1N)N)OC(C(F)F)(F)F

InChI

InChI=1S/C8H8F4N2O/c9-7(10)8(11,12)15-6-2-1-4(13)3-5(6)14/h1-3,7H,13-14H2

InChIKey

GZBDTUVDCDMCDU-UHFFFAOYSA-N

Compound name

4-(1,1,2,2-tetrafluoroethoxy)benzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 6
Patents: 224.05728 Da
Monoisotopic Mass: 2.2
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]+	225.06456	147.6
[M+Na]+	247.04650	153.5
[M+NH4]+	242.09110	151.6
[M+K]+	263.02044	150.3
[M-H]-	223.05000	143.6
[M+Na-2H]-	245.03195	149.9
[M]+	224.05673	146.8
[M]-	224.05783	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe