CID 58764285

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

247.96036 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.967636 143.7
[M+Na]+ 270.949578 157.1
[M-H]- 246.953084 149.4
[M+NH4]+ 265.994183 165.6
[M+K]+ 286.923518 144.0
[M+H-H2O]+ 230.957620 145.7
[M+HCOO]- 292.958561 158.7
[M+CH3COO]- 306.974211 187.4
[M+Na-2H]- 268.935026 151.3
[M]+ 247.95981142 163.8
[M]- 247.96090858 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