CID 92527

(1,2,3-tribromopropyl)benzene

Structural Information

Molecular Formula
C9H9Br3
SMILES
C1=CC=C(C=C1)C(C(CBr)Br)Br
InChI
InChI=1S/C9H9Br3/c10-6-8(11)9(12)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKey
WTSKOLDTABPEPX-UHFFFAOYSA-N
Compound name
1,2,3-tribromopropylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

353.82544 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.832716 145.7
[M+Na]+ 376.814658 152.7
[M-H]- 352.818164 151.0
[M+NH4]+ 371.859263 160.6
[M+K]+ 392.788598 137.6
[M+H-H2O]+ 336.822700 160.8
[M+HCOO]- 398.823641 155.2
[M+CH3COO]- 412.839291 220.1
[M+Na-2H]- 374.800106 150.4
[M]+ 353.82489142 185.7
[M]- 353.82598858 185.7
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