CID 619019

4-bromo-4'-n-propylbiphenyl

Structural Information

Molecular Formula
C15H15Br
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H15Br/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h4-11H,2-3H2,1H3
InChIKey
DPERLOMMOVDOHH-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

269
Patents

274.0357 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04298 155.5
[M+Na]+ 297.02492 166.5
[M-H]- 273.02842 164.6
[M+NH4]+ 292.06952 175.6
[M+K]+ 312.99886 154.3
[M+H-H2O]+ 257.03296 155.0
[M+HCOO]- 319.03390 177.0
[M+CH3COO]- 333.04955 196.9
[M+Na-2H]- 295.01037 162.4
[M]+ 274.03515 174.3
[M]- 274.03625 174.3
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