CID 11425911

1-bromo-2-(3-bromopropyl)benzene

Structural Information

Molecular Formula
C9H10Br2
SMILES
C1=CC=C(C(=C1)CCCBr)Br
InChI
InChI=1S/C9H10Br2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,3,5,7H2
InChIKey
IOAZJPZJOSGBBZ-UHFFFAOYSA-N
Compound name
1-bromo-2-(3-bromopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

275.91492 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.92220 138.5
[M+Na]+ 298.90414 149.2
[M-H]- 274.90764 145.2
[M+NH4]+ 293.94874 158.5
[M+K]+ 314.87808 133.8
[M+H-H2O]+ 258.91218 146.9
[M+HCOO]- 320.91312 155.1
[M+CH3COO]- 334.92877 200.9
[M+Na-2H]- 296.88959 146.5
[M]+ 275.91437 172.6
[M]- 275.91547 172.6
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