CID 378369

Nsc660666

Structural Information

Molecular Formula
C28H21BrO2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC=C(C=C4)OCCBr)C5=CC=C(C=C5)O
InChI
InChI=1S/C28H21BrO2/c29-17-18-31-22-15-11-20(12-16-22)28-25-7-3-1-5-23(25)27(19-9-13-21(30)14-10-19)24-6-2-4-8-26(24)28/h1-16,30H,17-18H2
InChIKey
OTJXTZBEGXQROZ-UHFFFAOYSA-N
Compound name
4-[10-[4-(2-bromoethoxy)phenyl]anthracen-9-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.07248 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.07976 212.2
[M+Na]+ 491.06170 222.3
[M-H]- 467.06520 223.9
[M+NH4]+ 486.10630 224.8
[M+K]+ 507.03564 208.8
[M+H-H2O]+ 451.06974 208.1
[M+HCOO]- 513.07068 229.1
[M+CH3COO]- 527.08633 222.5
[M+Na-2H]- 489.04715 217.1
[M]+ 468.07193 232.0
[M]- 468.07303 232.0
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

No patent data available for this compound.