CID 71756246

1-(2-bromo-3-fluorophenyl)propan-2-ol

Structural Information

Molecular Formula
C9H10BrFO
SMILES
CC(CC1=C(C(=CC=C1)F)Br)O
InChI
InChI=1S/C9H10BrFO/c1-6(12)5-7-3-2-4-8(11)9(7)10/h2-4,6,12H,5H2,1H3
InChIKey
APWVEMXECIDNLR-UHFFFAOYSA-N
Compound name
1-(2-bromo-3-fluorophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.98991 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.99719 142.4
[M+Na]+ 254.97913 154.0
[M-H]- 230.98263 146.5
[M+NH4]+ 250.02373 163.7
[M+K]+ 270.95307 142.7
[M+H-H2O]+ 214.98717 142.2
[M+HCOO]- 276.98811 161.2
[M+CH3COO]- 291.00376 186.8
[M+Na-2H]- 252.96458 147.8
[M]+ 231.98936 159.4
[M]- 231.99046 159.4
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.