CID 4568112

5-bromo-2-iodobenzoyl chloride

Structural Information

Molecular Formula
C7H3BrClIO
SMILES
C1=CC(=C(C=C1Br)C(=O)Cl)I
InChI
InChI=1S/C7H3BrClIO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
InChIKey
IAEYMICEYDVOLM-UHFFFAOYSA-N
Compound name
5-bromo-2-iodobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

343.81006 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.81734 142.5
[M+Na]+ 366.79928 149.5
[M-H]- 342.80278 142.6
[M+NH4]+ 361.84388 160.2
[M+K]+ 382.77322 143.0
[M+H-H2O]+ 326.80732 140.4
[M+HCOO]- 388.80826 155.5
[M+CH3COO]- 402.82391 194.5
[M+Na-2H]- 364.78473 138.3
[M]+ 343.80951 159.5
[M]- 343.81061 159.5
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