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

0
Patents

385.97763 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.98491 172.0
[M+Na]+ 408.96685 185.7
[M-H]- 384.97035 160.9
[M+NH4]+ 404.01145 183.8
[M+K]+ 424.94079 179.8
[M+H-H2O]+ 368.97489 156.7
[M+HCOO]- 430.97583 174.6
[M+CH3COO]- 444.99148 220.7
[M+Na-2H]- 406.95230 170.6
[M]+ 385.97708 152.6
[M]- 385.97818 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe