CID 14554301

84598-98-1

Structural Information

Molecular Formula
C17H10Br6O2
SMILES
C1[C@H](C=C[C@H]1OC2=C(C=C(C=C2Br)Br)Br)OC3=C(C=C(C=C3Br)Br)Br
InChI
InChI=1S/C17H10Br6O2/c18-8-3-12(20)16(13(21)4-8)24-10-1-2-11(7-10)25-17-14(22)5-9(19)6-15(17)23/h1-6,10-11H,7H2/t10-,11+
InChIKey
OAQZGVMMYFKSJK-PHIMTYICSA-N
Compound name
1,3,5-tribromo-2-[(1R,4S)-4-(2,4,6-tribromophenoxy)cyclopent-2-en-1-yl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

719.5781 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 720.58538 188.2
[M+Na]+ 742.56732 197.1
[M-H]- 718.57082 192.3
[M+NH4]+ 737.61192 193.6
[M+K]+ 758.54126 187.3
[M+H-H2O]+ 702.57536 202.1
[M+HCOO]- 764.57630 190.6
[M+CH3COO]- 778.59195 190.4
[M+Na-2H]- 740.55277 185.4
[M]+ 719.57755 209.1
[M]- 719.57865 209.1
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