CID 68632200

Schembl3411130

Structural Information

Molecular Formula
C8H8BrClO
SMILES
C1=CC(=C(C(=C1)Br)CCO)Cl
InChI
InChI=1S/C8H8BrClO/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,11H,4-5H2
InChIKey
YODKAQGFXSRIRA-UHFFFAOYSA-N
Compound name
2-(2-bromo-6-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

233.94472 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95200 138.1
[M+Na]+ 256.93394 151.4
[M-H]- 232.93744 143.5
[M+NH4]+ 251.97854 160.3
[M+K]+ 272.90788 138.3
[M+H-H2O]+ 216.94198 139.8
[M+HCOO]- 278.94292 154.8
[M+CH3COO]- 292.95857 184.3
[M+Na-2H]- 254.91939 145.6
[M]+ 233.94417 158.3
[M]- 233.94527 158.3
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