CID 57112463

1-(3-bromopropyl)-4-iodobenzene

Structural Information

Molecular Formula
C9H10BrI
SMILES
C1=CC(=CC=C1CCCBr)I
InChI
InChI=1S/C9H10BrI/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,1-2,7H2
InChIKey
SINNTMVHQZXKFR-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 148.4
[M+Na]+ 346.89028 152.8
[M-H]- 322.89378 147.7
[M+NH4]+ 341.93488 165.8
[M+K]+ 362.86422 147.6
[M+H-H2O]+ 306.89832 145.0
[M+HCOO]- 368.89926 165.2
[M+CH3COO]- 382.91491 193.8
[M+Na-2H]- 344.87573 144.7
[M]+ 323.90051 163.7
[M]- 323.90161 163.7
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