CID 74603

1,2,3,4,5,6-hexabromocyclohexane

Structural Information

Molecular Formula
C6H6Br6
SMILES
C1(C(C(C(C(C1Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C6H6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
InChIKey
QFQZKISCBJKVHI-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexabromocyclohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

915
Patents

551.557 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.56428 177.2
[M+Na]+ 574.54622 186.9
[M-H]- 550.54972 181.1
[M+NH4]+ 569.59082 183.3
[M+K]+ 590.52016 176.1
[M+H-H2O]+ 534.55426 191.3
[M+HCOO]- 596.55520 179.8
[M+CH3COO]- 610.57085 250.3
[M+Na-2H]- 572.53167 175.7
[M]+ 551.55645 197.9
[M]- 551.55755 197.9
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