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

74
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 142.7
[M+Na]+ 254.97913 155.1
[M-H]- 230.98263 147.1
[M+NH4]+ 250.02373 164.2
[M+K]+ 270.95307 143.6
[M+H-H2O]+ 214.98717 143.0
[M+HCOO]- 276.98811 161.0
[M+CH3COO]- 291.00376 186.4
[M+Na-2H]- 252.96458 149.8
[M]+ 231.98936 159.9
[M]- 231.99046 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