CID 9925543

238098-26-5

Structural Information

Molecular Formula

C₁₀H₈F₇N

SMILES

CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)N

InChI

InChI=1S/C10H8F7N/c1-5-4-6(2-3-7(5)18)8(11,9(12,13)14)10(15,16)17/h2-4H,18H2,1H3

InChIKey

QVAUOEHPYOFAQA-UHFFFAOYSA-N

Compound name

4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 213
Patents: 275.0545 Da
Monoisotopic Mass: 3.5
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]+	276.06178	174.4
[M+Na]+	298.04372	177.8
[M+NH4]+	293.08832	175.7
[M+K]+	314.01766	174.3
[M-H]-	274.04722	167.6
[M+Na-2H]-	296.02917	174.0
[M]+	275.05395	172.6
[M]-	275.05505	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe