CID 11601330

4333-76-0

Structural Information

Molecular Formula
C14H11Br
SMILES
C=C(C1=CC=CC=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H11Br/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-10H,1H2
InChIKey
RFBNEESZDICKQI-UHFFFAOYSA-N
Compound name
1-bromo-4-(1-phenylethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

258.00443 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01171 150.3
[M+Na]+ 280.99365 160.9
[M-H]- 256.99715 159.4
[M+NH4]+ 276.03825 170.6
[M+K]+ 296.96759 148.7
[M+H-H2O]+ 241.00169 150.1
[M+HCOO]- 303.00263 171.4
[M+CH3COO]- 317.01828 193.1
[M+Na-2H]- 278.97910 157.4
[M]+ 258.00388 167.3
[M]- 258.00498 167.3
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