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]+ 238.926906 136.1
[M+Na]+ 260.908848 150.7
[M-H]- 236.912354 140.7
[M+NH4]+ 255.953453 158.4
[M+K]+ 276.882788 137.4
[M+H-H2O]+ 220.916890 137.3
[M+HCOO]- 282.917831 152.2
[M+CH3COO]- 296.933481 185.1
[M+Na-2H]- 258.894296 142.9
[M]+ 237.91908142 155.3
[M]- 237.92017858 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