CID 2773347

2-bromo-4-fluorobenzyl alcohol

Structural Information

Molecular Formula
C7H6BrFO
SMILES
C1=CC(=C(C=C1F)Br)CO
InChI
InChI=1S/C7H6BrFO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2
InChIKey
XGAMLBPEVCLQEJ-UHFFFAOYSA-N
Compound name
(2-bromo-4-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

203.9586 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.96588 135.5
[M+Na]+ 226.94782 139.1
[M+NH4]+ 221.99242 140.4
[M+K]+ 242.92176 138.6
[M-H]- 202.95132 135.0
[M+Na-2H]- 224.93327 138.9
[M]+ 203.95805 134.6
[M]- 203.95915 134.6
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