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 239.5
[M+Na]+ 543.32332 240.0
[M-H]- 519.32682 248.8
[M+NH4]+ 538.36792 243.7
[M+K]+ 559.29726 231.9
[M+H-H2O]+ 503.33136 225.7
[M+HCOO]- 565.33230 256.4
[M+CH3COO]- 579.34795 247.8
[M+Na-2H]- 541.30877 238.6
[M]+ 520.33355 242.8
[M]- 520.33465 242.8
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