CID 7716

1-phenyldecane

Structural Information

Molecular Formula
C16H26
SMILES
CCCCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3
InChIKey
UZILCZKGXMQEQR-UHFFFAOYSA-N
Compound name
decylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

10180
Patents

218.20345 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.210726 156.1
[M+Na]+ 241.192668 160.5
[M-H]- 217.196174 158.3
[M+NH4]+ 236.237273 174.6
[M+K]+ 257.166608 156.9
[M+H-H2O]+ 201.200710 149.3
[M+HCOO]- 263.201651 178.3
[M+CH3COO]- 277.217301 192.8
[M+Na-2H]- 239.178116 160.5
[M]+ 218.20290142 158.5
[M]- 218.20399858 158.5
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