CID 25129137

2,6-dibromo-4-[(e)-2-phenylethenyl]phenol

Structural Information

Molecular Formula
C14H10Br2O
SMILES
C1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2)Br)O)Br
InChI
InChI=1S/C14H10Br2O/c15-12-8-11(9-13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-9,17H/b7-6+
InChIKey
WMVYUPRIADVLTH-VOTSOKGWSA-N
Compound name
2,6-dibromo-4-[(E)-2-phenylethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

351.90985 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.91713 155.2
[M+Na]+ 374.89907 165.7
[M-H]- 350.90257 163.4
[M+NH4]+ 369.94367 172.3
[M+K]+ 390.87301 149.2
[M+H-H2O]+ 334.90711 163.2
[M+HCOO]- 396.90805 170.7
[M+CH3COO]- 410.92370 209.0
[M+Na-2H]- 372.88452 161.1
[M]+ 351.90930 188.4
[M]- 351.91040 188.4
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

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