CID 86658

Einecs 242-012-0

Structural Information

Molecular Formula
C14H20Br6
SMILES
C1CC(C(CC1C(C(C2CCC(C(C2)Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C14H20Br6/c15-9-3-1-7(5-11(9)17)13(19)14(20)8-2-4-10(16)12(18)6-8/h7-14H,1-6H2
InChIKey
YBYGCIBLVFGTOD-UHFFFAOYSA-N
Compound name
1,2-dibromo-4-[1,2-dibromo-2-(3,4-dibromocyclohexyl)ethyl]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

661.6665 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.67378 188.3
[M+Na]+ 684.65572 197.1
[M-H]- 660.65922 192.1
[M+NH4]+ 679.70032 193.8
[M+K]+ 700.62966 186.6
[M+H-H2O]+ 644.66376 202.4
[M+HCOO]- 706.66470 190.0
[M+CH3COO]- 720.68035 251.8
[M+Na-2H]- 682.64117 185.3
[M]+ 661.66595 208.4
[M]- 661.66705 208.4
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