CID 10614797

1-bromo-3-(2-iodoethenyl)benzene

Structural Information

Molecular Formula
C8H6BrI
SMILES
C1=CC(=CC(=C1)Br)/C=C/I
InChI
InChI=1S/C8H6BrI/c9-8-3-1-2-7(6-8)4-5-10/h1-6H/b5-4+
InChIKey
JIVGFMUGTDJRNC-SNAWJCMRSA-N
Compound name
1-bromo-3-[(E)-2-iodoethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.86975 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.87703 141.5
[M+Na]+ 330.85897 146.7
[M-H]- 306.86247 141.1
[M+NH4]+ 325.90357 159.6
[M+K]+ 346.83291 141.2
[M+H-H2O]+ 290.86701 138.5
[M+HCOO]- 352.86795 158.9
[M+CH3COO]- 366.88360 189.8
[M+Na-2H]- 328.84442 138.6
[M]+ 307.86920 155.9
[M]- 307.87030 155.9
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