CID 155819341

2-(4-bromo-2-fluoro-6-methoxyphenyl)propan-2-ol

Structural Information

Molecular Formula
C10H12BrFO2
SMILES
CC(C)(C1=C(C=C(C=C1F)Br)OC)O
InChI
InChI=1S/C10H12BrFO2/c1-10(2,13)9-7(12)4-6(11)5-8(9)14-3/h4-5,13H,1-3H3
InChIKey
QBSVYZFZGDWGOZ-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-fluoro-6-methoxyphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.00046 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00774 149.5
[M+Na]+ 284.98968 162.1
[M-H]- 260.99318 154.0
[M+NH4]+ 280.03428 170.0
[M+K]+ 300.96362 150.9
[M+H-H2O]+ 244.99772 149.4
[M+HCOO]- 306.99866 167.5
[M+CH3COO]- 321.01431 192.2
[M+Na-2H]- 282.97513 155.4
[M]+ 261.99991 168.6
[M]- 262.00101 168.6
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

No patent data available for this compound.