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

73
Patents

231.98991 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.997186 142.7
[M+Na]+ 254.979128 155.1
[M-H]- 230.982634 147.1
[M+NH4]+ 250.023733 164.2
[M+K]+ 270.953068 143.6
[M+H-H2O]+ 214.987170 143.0
[M+HCOO]- 276.988111 161.0
[M+CH3COO]- 291.003761 186.4
[M+Na-2H]- 252.964576 149.8
[M]+ 231.98936142 159.9
[M]- 231.99045858 159.9
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