CID 2776193

4-(heptafluoroisopropyl)tetrafluorobenzotrifluoride

Structural Information

Molecular Formula

C₁₀F₁₄

SMILES

C1(=C(C(=C(C(=C1F)F)C(F)(F)F)F)F)C(C(F)(F)F)(C(F)(F)F)F

InChI

InChI=1S/C10F14/c11-3-1(7(15,9(19,20)21)10(22,23)24)4(12)6(14)2(5(3)13)8(16,17)18

InChIKey

CKGPOWZUEZFLPG-UHFFFAOYSA-N

Compound name

1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2
Patents: 385.97763 Da
Monoisotopic Mass: 5.4
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]+	386.984906	172.0
[M+Na]+	408.966848	185.7
[M-H]-	384.970354	160.9
[M+NH4]+	404.011453	183.8
[M+K]+	424.940788	179.8
[M+H-H2O]+	368.974890	156.7
[M+HCOO]-	430.975831	174.6
[M+CH3COO]-	444.991481	220.7
[M+Na-2H]-	406.952296	170.6
[M]+	385.97708142	152.6
[M]-	385.97817858	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe