CID 74892769

(6-bromo-3-chloro-2-fluorophenyl)methanol

Structural Information

Molecular Formula
C7H5BrClFO
SMILES
C1=CC(=C(C(=C1Cl)F)CO)Br
InChI
InChI=1S/C7H5BrClFO/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2,11H,3H2
InChIKey
GVWAPEOEFOERPI-UHFFFAOYSA-N
Compound name
(6-bromo-3-chloro-2-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

237.91963 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.92691 139.9
[M+Na]+ 260.90885 144.5
[M+NH4]+ 255.95345 145.0
[M+K]+ 276.88279 143.5
[M-H]- 236.91235 139.4
[M+Na-2H]- 258.89430 143.2
[M]+ 237.91908 139.5
[M]- 237.92018 139.5
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