CID 3521949

1,1-bis(pentafluorophenyl)-1-ethanol

Structural Information

Molecular Formula
C14H4F10O
SMILES
CC(C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)O
InChI
InChI=1S/C14H4F10O/c1-14(25,2-4(15)8(19)12(23)9(20)5(2)16)3-6(17)10(21)13(24)11(22)7(3)18/h25H,1H3
InChIKey
KGUUGWKHBRPWIW-UHFFFAOYSA-N
Compound name
1,1-bis(2,3,4,5,6-pentafluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

378.01025 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.01753 173.6
[M+Na]+ 400.99947 189.5
[M-H]- 377.00297 169.1
[M+NH4]+ 396.04407 186.3
[M+K]+ 416.97341 181.8
[M+H-H2O]+ 361.00751 159.5
[M+HCOO]- 423.00845 183.7
[M+CH3COO]- 437.02410 222.2
[M+Na-2H]- 398.98492 168.6
[M]+ 378.00970 163.3
[M]- 378.01080 163.3
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