CID 15577146

(1,3-dibromopropan-2-yl)benzene

Structural Information

Molecular Formula
C9H10Br2
SMILES
C1=CC=C(C=C1)C(CBr)CBr
InChI
InChI=1S/C9H10Br2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
QRNSGEFSAXCAKE-UHFFFAOYSA-N
Compound name
1,3-dibromopropan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

275.91492 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.92220 140.6
[M+Na]+ 298.90414 150.4
[M-H]- 274.90764 147.1
[M+NH4]+ 293.94874 160.4
[M+K]+ 314.87808 135.3
[M+H-H2O]+ 258.91218 149.0
[M+HCOO]- 320.91312 156.4
[M+CH3COO]- 334.92877 200.7
[M+Na-2H]- 296.88959 148.0
[M]+ 275.91437 174.0
[M]- 275.91547 174.0
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