CID 20032081

((2-(2-(2-bromoethoxy)ethoxy)ethoxy)methyl)benzene

Structural Information

Molecular Formula
C13H19BrO3
SMILES
C1=CC=C(C=C1)COCCOCCOCCBr
InChI
InChI=1S/C13H19BrO3/c14-6-7-15-8-9-16-10-11-17-12-13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKey
ALQCMVLZSDVCQF-UHFFFAOYSA-N
Compound name
2-[2-(2-bromoethoxy)ethoxy]ethoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

302.05176 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05904 162.2
[M+Na]+ 325.04098 170.8
[M-H]- 301.04448 167.3
[M+NH4]+ 320.08558 180.8
[M+K]+ 341.01492 160.4
[M+H-H2O]+ 285.04902 160.9
[M+HCOO]- 347.04996 183.4
[M+CH3COO]- 361.06561 198.8
[M+Na-2H]- 323.02643 168.9
[M]+ 302.05121 185.9
[M]- 302.05231 186.0
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

patents stripe