CID 69845413

(2-bromo-5-fluoro-4-nitrophenyl)methanol

Structural Information

Molecular Formula
C7H5BrFNO3
SMILES
C1=C(C(=CC(=C1F)[N+](=O)[O-])Br)CO
InChI
InChI=1S/C7H5BrFNO3/c8-5-2-7(10(12)13)6(9)1-4(5)3-11/h1-2,11H,3H2
InChIKey
LJHOYMACUXNPOF-UHFFFAOYSA-N
Compound name
(2-bromo-5-fluoro-4-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.94368 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.95096 142.4
[M+Na]+ 271.93290 154.5
[M-H]- 247.93640 146.8
[M+NH4]+ 266.97750 162.2
[M+K]+ 287.90684 139.4
[M+H-H2O]+ 231.94094 145.8
[M+HCOO]- 293.94188 163.7
[M+CH3COO]- 307.95753 182.5
[M+Na-2H]- 269.91835 149.9
[M]+ 248.94313 159.2
[M]- 248.94423 159.2
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