CID 13670571

75865-45-1

Structural Information

Molecular Formula
C7H3BrF4O
SMILES
C(C1=C(C(=C(C(=C1F)F)Br)F)F)O
InChI
InChI=1S/C7H3BrF4O/c8-3-6(11)4(9)2(1-13)5(10)7(3)12/h13H,1H2
InChIKey
CANKYTKGBSRIPN-UHFFFAOYSA-N
Compound name
(4-bromo-2,3,5,6-tetrafluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

257.93033 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.93761 142.3
[M+Na]+ 280.91955 157.5
[M-H]- 256.92305 143.7
[M+NH4]+ 275.96415 163.0
[M+K]+ 296.89349 144.9
[M+H-H2O]+ 240.92759 140.0
[M+HCOO]- 302.92853 159.4
[M+CH3COO]- 316.94418 191.6
[M+Na-2H]- 278.90500 145.8
[M]+ 257.92978 156.6
[M]- 257.93088 156.6
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