CID 2769402

216755-56-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

288
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

No literature data available for this compound.

Patent stripe

patents stripe