CID 86681310

1-bromo-2-chloro-3-(cyclohexyloxy)benzene

Structural Information

Molecular Formula
C12H14BrClO
SMILES
C1CCC(CC1)OC2=C(C(=CC=C2)Br)Cl
InChI
InChI=1S/C12H14BrClO/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKey
MAXDMMQSOYUMRE-UHFFFAOYSA-N
Compound name
1-bromo-2-chloro-3-cyclohexyloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

287.99167 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.99895 156.2
[M+Na]+ 310.98089 166.5
[M-H]- 286.98439 164.7
[M+NH4]+ 306.02549 176.4
[M+K]+ 326.95483 154.0
[M+H-H2O]+ 270.98893 156.6
[M+HCOO]- 332.98987 170.4
[M+CH3COO]- 347.00552 194.8
[M+Na-2H]- 308.96634 161.4
[M]+ 287.99112 173.3
[M]- 287.99222 173.3
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