CID 143181

Butylphenyl

Structural Information

Molecular Formula
C16H18
SMILES
CCCCC1=CC=CC=C1C2=CC=CC=C2
InChI
InChI=1S/C16H18/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15/h4-8,10-13H,2-3,9H2,1H3
InChIKey
RMSGQZDGSZOJMU-UHFFFAOYSA-N
Compound name
1-butyl-2-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24209
Patents

210.14085 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.148126 148.3
[M+Na]+ 233.130068 155.1
[M-H]- 209.133574 154.7
[M+NH4]+ 228.174673 167.1
[M+K]+ 249.104008 150.7
[M+H-H2O]+ 193.138110 141.0
[M+HCOO]- 255.139051 172.1
[M+CH3COO]- 269.154701 189.3
[M+Na-2H]- 231.115516 154.7
[M]+ 210.14030142 148.5
[M]- 210.14139858 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe