CID 84707038

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

Structural Information

Molecular Formula
C9H10BrClO
SMILES
CC(C)(C1=C(C=C(C=C1)Cl)Br)O
InChI
InChI=1S/C9H10BrClO/c1-9(2,12)7-4-3-6(11)5-8(7)10/h3-5,12H,1-2H3
InChIKey
UZDDTSLFYUAWJC-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-chlorophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

247.96036 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.96764 143.7
[M+Na]+ 270.94958 157.1
[M-H]- 246.95308 149.4
[M+NH4]+ 265.99418 165.6
[M+K]+ 286.92352 144.0
[M+H-H2O]+ 230.95762 145.7
[M+HCOO]- 292.95856 158.7
[M+CH3COO]- 306.97421 187.4
[M+Na-2H]- 268.93503 151.3
[M]+ 247.95981 163.8
[M]- 247.96091 163.8
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