CID 53434092

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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

No literature data available for this compound.

Patent stripe

patents stripe