CID 2773347

(2-bromo-4-fluorophenyl)methanol

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

152
Patents

203.9586 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.965876 132.5
[M+Na]+ 226.947818 145.2
[M-H]- 202.951324 136.9
[M+NH4]+ 221.992423 154.9
[M+K]+ 242.921758 133.9
[M+H-H2O]+ 186.955860 132.6
[M+HCOO]- 248.956801 152.9
[M+CH3COO]- 262.972451 180.4
[M+Na-2H]- 224.933266 140.1
[M]+ 203.95805142 149.4
[M]- 203.95914858 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe