CID 13029207

35694-75-8

Structural Information

Molecular Formula
C10H12Br2
SMILES
C1=CC=C(C=C1)CC(CBr)CBr
InChI
InChI=1S/C10H12Br2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
XFUUFBLWGWFPHO-UHFFFAOYSA-N
Compound name
[3-bromo-2-(bromomethyl)propyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

289.93057 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.93785 144.8
[M+Na]+ 312.91979 154.2
[M-H]- 288.92329 151.1
[M+NH4]+ 307.96439 164.1
[M+K]+ 328.89373 138.9
[M+H-H2O]+ 272.92783 153.0
[M+HCOO]- 334.92877 160.3
[M+CH3COO]- 348.94442 203.0
[M+Na-2H]- 310.90524 151.7
[M]+ 289.93002 178.4
[M]- 289.93112 178.4
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