CID 74892767

(2-bromo-4-chloro-6-fluorophenyl)methanol

Structural Information

Molecular Formula
C7H5BrClFO
SMILES
C1=C(C=C(C(=C1F)CO)Br)Cl
InChI
InChI=1S/C7H5BrClFO/c8-6-1-4(9)2-7(10)5(6)3-11/h1-2,11H,3H2
InChIKey
HSYSDGNZLXWXCU-UHFFFAOYSA-N
Compound name
(2-bromo-4-chloro-6-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 136.1
[M+Na]+ 260.90885 150.7
[M-H]- 236.91235 140.7
[M+NH4]+ 255.95345 158.4
[M+K]+ 276.88279 137.4
[M+H-H2O]+ 220.91689 137.3
[M+HCOO]- 282.91783 152.2
[M+CH3COO]- 296.93348 185.1
[M+Na-2H]- 258.89430 142.9
[M]+ 237.91908 155.3
[M]- 237.92018 155.3
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