CID 16980

7-phenyltridecane

Structural Information

Molecular Formula
C19H32
SMILES
CCCCCCC(CCCCCC)C1=CC=CC=C1
InChI
InChI=1S/C19H32/c1-3-5-7-10-14-18(15-11-8-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3
InChIKey
IMXZNWPPLCVUDT-UHFFFAOYSA-N
Compound name
tridecan-7-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

260.2504 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.25768 170.6
[M+Na]+ 283.23962 173.5
[M-H]- 259.24312 172.3
[M+NH4]+ 278.28422 187.4
[M+K]+ 299.21356 169.5
[M+H-H2O]+ 243.24766 163.2
[M+HCOO]- 305.24860 190.8
[M+CH3COO]- 319.26425 202.5
[M+Na-2H]- 281.22507 172.1
[M]+ 260.24985 173.5
[M]- 260.25095 173.5
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