CID 126662917

1,2-bis(hexyloxy)-4-(triphenylmethyl)benzene

Structural Information

Molecular Formula
C37H44O2
SMILES
CCCCCCOC1=C(C=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCCCCCC
InChI
InChI=1S/C37H44O2/c1-3-5-7-18-28-38-35-27-26-34(30-36(35)39-29-19-8-6-4-2)37(31-20-12-9-13-21-31,32-22-14-10-15-23-32)33-24-16-11-17-25-33/h9-17,20-27,30H,3-8,18-19,28-29H2,1-2H3
InChIKey
UVSNFDLVTJZNSN-UHFFFAOYSA-N
Compound name
1,2-dihexoxy-4-tritylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

520.3341 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.34138 242.1
[M+Na]+ 543.32332 258.4
[M+NH4]+ 538.36792 249.7
[M+K]+ 559.29726 244.8
[M-H]- 519.32682 251.5
[M+Na-2H]- 541.30877 254.0
[M]+ 520.33355 247.6
[M]- 520.33465 247.6
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