CID 67255536

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

Structural Information

Molecular Formula
C7H5BrF2O
SMILES
C1=C(C(=CC(=C1Br)F)F)CO
InChI
InChI=1S/C7H5BrF2O/c8-5-1-4(3-11)6(9)2-7(5)10/h1-2,11H,3H2
InChIKey
ZKMCKSZOHXHRIH-UHFFFAOYSA-N
Compound name
(5-bromo-2,4-difluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

221.94917 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.956446 135.7
[M+Na]+ 244.938388 149.3
[M-H]- 220.941894 139.1
[M+NH4]+ 239.982993 157.6
[M+K]+ 260.912328 137.5
[M+H-H2O]+ 204.946430 135.0
[M+HCOO]- 266.947371 155.0
[M+CH3COO]- 280.963021 184.0
[M+Na-2H]- 242.923836 142.0
[M]+ 221.94862142 151.8
[M]- 221.94971858 151.8
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