CID 30565

Brn 2382137

Structural Information

Molecular Formula
C16H23BrCl2O
SMILES
CCCCC(CC)COC(CBr)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C16H23BrCl2O/c1-3-5-6-12(4-2)11-20-16(10-17)13-7-8-14(18)15(19)9-13/h7-9,12,16H,3-6,10-11H2,1-2H3
InChIKey
CKKAOYZJQSSGDR-UHFFFAOYSA-N
Compound name
4-[2-bromo-1-(2-ethylhexoxy)ethyl]-1,2-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.03094 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.03822 178.7
[M+Na]+ 403.02016 189.3
[M-H]- 379.02366 183.5
[M+NH4]+ 398.06476 196.3
[M+K]+ 418.99410 174.4
[M+H-H2O]+ 363.02820 179.3
[M+HCOO]- 425.02914 187.6
[M+CH3COO]- 439.04479 214.4
[M+Na-2H]- 401.00561 179.5
[M]+ 380.03039 203.0
[M]- 380.03149 203.0
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.