CID 118216

35109-60-5

Structural Information

Molecular Formula
C9H7Br5O
SMILES
C1=C(C=C(C(=C1Br)OCC(CBr)Br)Br)Br
InChI
InChI=1S/C9H7Br5O/c10-3-6(12)4-15-9-7(13)1-5(11)2-8(9)14/h1-2,6H,3-4H2
InChIKey
QXWYPAKUEHGJSG-UHFFFAOYSA-N
Compound name
1,3,5-tribromo-2-(2,3-dibromopropoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

32
Patents

525.64136 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.64864 165.2
[M+Na]+ 548.63058 163.0
[M+NH4]+ 543.67518 165.9
[M+K]+ 564.60452 166.1
[M-H]- 524.63408 166.5
[M+Na-2H]- 546.61603 166.1
[M]+ 525.64081 165.7
[M]- 525.64191 165.7
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