CID 101748485

1,3-dibromo-5-n-octylbenzene

Structural Information

Molecular Formula
C14H20Br2
SMILES
CCCCCCCCC1=CC(=CC(=C1)Br)Br
InChI
InChI=1S/C14H20Br2/c1-2-3-4-5-6-7-8-12-9-13(15)11-14(16)10-12/h9-11H,2-8H2,1H3
InChIKey
OHOXSSBAVJERNK-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-octylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

345.9932 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.00048 158.5
[M+Na]+ 368.98242 168.1
[M-H]- 344.98592 164.7
[M+NH4]+ 364.02702 176.6
[M+K]+ 384.95636 151.6
[M+H-H2O]+ 328.99046 166.0
[M+HCOO]- 390.99140 173.6
[M+CH3COO]- 405.00705 213.1
[M+Na-2H]- 366.96787 163.5
[M]+ 345.99265 194.1
[M]- 345.99375 194.1
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