CID 635032

51749-83-8

Structural Information

Molecular Formula
C30H16Cl2
SMILES
C1=CC=C(C=C1)C#CC2=C3C=CC=C(C3=C(C4=C2C=CC=C4Cl)C#CC5=CC=CC=C5)Cl
InChI
InChI=1S/C30H16Cl2/c31-27-15-7-13-24-23(19-17-21-9-3-1-4-10-21)25-14-8-16-28(32)30(25)26(29(24)27)20-18-22-11-5-2-6-12-22/h1-16H
InChIKey
YONGNHJIWAYNLC-UHFFFAOYSA-N
Compound name
1,8-dichloro-9,10-bis(2-phenylethynyl)anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

446.0629 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.07018 214.3
[M+Na]+ 469.05212 230.2
[M-H]- 445.05562 218.0
[M+NH4]+ 464.09672 222.2
[M+K]+ 485.02606 211.1
[M+H-H2O]+ 429.06016 198.6
[M+HCOO]- 491.06110 215.8
[M+CH3COO]- 505.07675 218.3
[M+Na-2H]- 467.03757 212.5
[M]+ 446.06235 208.3
[M]- 446.06345 208.3
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