CID 53401418

(4-bromo-2,5-difluorophenyl)methanol

Structural Information

Molecular Formula
C7H5BrF2O
SMILES
C1=C(C(=CC(=C1F)Br)F)CO
InChI
InChI=1S/C7H5BrF2O/c8-5-2-6(9)4(3-11)1-7(5)10/h1-2,11H,3H2
InChIKey
CXEWREITGADCOJ-UHFFFAOYSA-N
Compound name
(4-bromo-2,5-difluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

221.94917 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.95645 142.7
[M+Na]+ 244.93839 145.7
[M+NH4]+ 239.98299 146.7
[M+K]+ 260.91233 145.1
[M-H]- 220.94189 140.8
[M+Na-2H]- 242.92384 144.9
[M]+ 221.94862 141.3
[M]- 221.94972 141.3
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

patents stripe