CID 615780

2-bromo-m-iodoacetophenone

Structural Information

Molecular Formula
C8H6BrIO
SMILES
C1=CC(=CC(=C1)I)C(=O)CBr
InChI
InChI=1S/C8H6BrIO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2
InChIKey
LZXVONZDKAPXSO-UHFFFAOYSA-N
Compound name
2-bromo-1-(3-iodophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

323.8647 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.87198 145.9
[M+Na]+ 346.85392 150.6
[M-H]- 322.85742 145.5
[M+NH4]+ 341.89852 163.1
[M+K]+ 362.82786 145.9
[M+H-H2O]+ 306.86196 142.6
[M+HCOO]- 368.86290 162.5
[M+CH3COO]- 382.87855 192.8
[M+Na-2H]- 344.83937 141.6
[M]+ 323.86415 161.0
[M]- 323.86525 161.0
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