CID 18968075

58524-63-3

Structural Information

Molecular Formula

C₉H₇F₇N₂

SMILES

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

InChI

InChI=1S/C9H7F7N2/c10-7(8(11,12)13,9(14,15)16)5-2-1-4(17)3-6(5)18/h1-3H,17-18H2

InChIKey

LNOYXGGMUPLGGX-UHFFFAOYSA-N

Compound name

4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 276.04974 Da
Monoisotopic Mass: 2.8
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]+	277.05702	151.8
[M+Na]+	299.03896	161.1
[M-H]-	275.04246	146.3
[M+NH4]+	294.08356	167.0
[M+K]+	315.01290	156.8
[M+H-H2O]+	259.04700	141.0
[M+HCOO]-	321.04794	164.7
[M+CH3COO]-	335.06359	202.1
[M+Na-2H]-	297.02441	155.1
[M]+	276.04919	138.2
[M]-	276.05029	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe