CID 30567

Brn 2385759

Structural Information

Molecular Formula
C23H39BrO
SMILES
CCCCCCCCCCCCOC(CBr)C1=CC=C(C=C1)C(C)C
InChI
InChI=1S/C23H39BrO/c1-4-5-6-7-8-9-10-11-12-13-18-25-23(19-24)22-16-14-21(15-17-22)20(2)3/h14-17,20,23H,4-13,18-19H2,1-3H3
InChIKey
IGKJHIYJWOEEQC-UHFFFAOYSA-N
Compound name
1-(2-bromo-1-dodecoxyethyl)-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.21844 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22572 203.8
[M+Na]+ 433.20766 208.9
[M-H]- 409.21116 207.5
[M+NH4]+ 428.25226 218.5
[M+K]+ 449.18160 195.9
[M+H-H2O]+ 393.21570 201.3
[M+HCOO]- 455.21664 219.3
[M+CH3COO]- 469.23229 225.4
[M+Na-2H]- 431.19311 202.0
[M]+ 410.21789 227.3
[M]- 410.21899 227.3
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

No patent data available for this compound.