CID 155367658

1-bromo-4-iodo-2-isopropylbenzene

Structural Information

Molecular Formula
C9H10BrI
SMILES
CC(C)C1=C(C=CC(=C1)I)Br
InChI
InChI=1S/C9H10BrI/c1-6(2)8-5-7(11)3-4-9(8)10/h3-6H,1-2H3
InChIKey
BCNIFVTXHQDSQS-UHFFFAOYSA-N
Compound name
1-bromo-4-iodo-2-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

323.90106 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.90834 147.0
[M+Na]+ 346.89028 151.9
[M-H]- 322.89378 146.8
[M+NH4]+ 341.93488 164.7
[M+K]+ 362.86422 147.1
[M+H-H2O]+ 306.89832 143.8
[M+HCOO]- 368.89926 163.0
[M+CH3COO]- 382.91491 195.5
[M+Na-2H]- 344.87573 141.7
[M]+ 323.90051 162.1
[M]- 323.90161 162.1
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