CID 58762195

2-(4-bromo-2-fluorophenyl)propan-2-ol

Structural Information

Molecular Formula
C9H10BrFO
SMILES
CC(C)(C1=C(C=C(C=C1)Br)F)O
InChI
InChI=1S/C9H10BrFO/c1-9(2,12)7-4-3-6(10)5-8(7)11/h3-5,12H,1-2H3
InChIKey
CCWCTVRHFBDISJ-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-fluorophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

231.98991 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.99719 144.6
[M+Na]+ 254.97913 147.6
[M+NH4]+ 250.02373 149.0
[M+K]+ 270.95307 147.7
[M-H]- 230.98263 143.5
[M+Na-2H]- 252.96458 147.4
[M]+ 231.98936 143.5
[M]- 231.99046 143.5
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