CID 6907

1,2,3,4,5-pentabromo-6-chlorocyclohexane

Structural Information

Molecular Formula
C6H6Br5Cl
SMILES
C1(C(C(C(C(C1Br)Br)Br)Br)Br)Cl
InChI
InChI=1S/C6H6Br5Cl/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
InChIKey
UZOSVZSBPTTWIG-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromo-6-chlorocyclohexane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

862
Patents

507.60748 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.61476 168.6
[M+Na]+ 530.59670 176.4
[M-H]- 506.60020 172.2
[M+NH4]+ 525.64130 176.4
[M+K]+ 546.57064 164.2
[M+H-H2O]+ 490.60474 186.0
[M+HCOO]- 552.60568 170.6
[M+CH3COO]- 566.62133 245.2
[M+Na-2H]- 528.58215 168.1
[M]+ 507.60693 198.3
[M]- 507.60803 198.3
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