CID 626473

1,2-dibromo-4-(1,2-dibromo-1-methylethyl)-1-methylcyclohexane

Structural Information

Molecular Formula
C10H16Br4
SMILES
CC1(CCC(CC1Br)C(C)(CBr)Br)Br
InChI
InChI=1S/C10H16Br4/c1-9(13)4-3-7(5-8(9)12)10(2,14)6-11/h7-8H,3-6H2,1-2H3
InChIKey
BQAKZPPEUZUAJR-UHFFFAOYSA-N
Compound name
1,2-dibromo-4-(1,2-dibromopropan-2-yl)-1-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

451.79855 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.80583 163.3
[M+Na]+ 474.78777 169.1
[M-H]- 450.79127 167.2
[M+NH4]+ 469.83237 174.2
[M+K]+ 490.76171 155.6
[M+H-H2O]+ 434.79581 182.0
[M+HCOO]- 496.79675 167.0
[M+CH3COO]- 510.81240 236.8
[M+Na-2H]- 472.77322 164.8
[M]+ 451.79800 200.7
[M]- 451.79910 200.7
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