CID 89426645

1361969-01-8

Structural Information

Molecular Formula
C27H21Br
SMILES
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)CBr)C4=CC=CC=C4
InChI
InChI=1S/C27H21Br/c28-20-21-16-18-25(19-17-21)27(24-14-8-3-9-15-24)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19H,20H2
InChIKey
BCQFLZRLTIZMLQ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-(1,2,2-triphenylethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

424.08267 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.08995 201.0
[M+Na]+ 447.07189 207.3
[M-H]- 423.07539 213.8
[M+NH4]+ 442.11649 213.1
[M+K]+ 463.04583 193.3
[M+H-H2O]+ 407.07993 197.7
[M+HCOO]- 469.08087 218.7
[M+CH3COO]- 483.09652 211.1
[M+Na-2H]- 445.05734 203.8
[M]+ 424.08212 215.6
[M]- 424.08322 215.6
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