CID 3478698

(4-bromo-phenyl)-(2,3,4,5,6-pentafluoro-phenyl)-methanol

Structural Information

Molecular Formula
C13H6BrF5O
SMILES
C1=CC(=CC=C1C(C2=C(C(=C(C(=C2F)F)F)F)F)O)Br
InChI
InChI=1S/C13H6BrF5O/c14-6-3-1-5(2-4-6)13(20)7-8(15)10(17)12(19)11(18)9(7)16/h1-4,13,20H
InChIKey
QUKGWWXILDUOKH-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.9522 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.95948 169.9
[M+Na]+ 374.94142 184.2
[M-H]- 350.94492 172.8
[M+NH4]+ 369.98602 186.6
[M+K]+ 390.91536 170.3
[M+H-H2O]+ 334.94946 165.3
[M+HCOO]- 396.95040 184.4
[M+CH3COO]- 410.96605 208.8
[M+Na-2H]- 372.92687 169.8
[M]+ 351.95165 182.7
[M]- 351.95275 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.