CID 3613545

1,4-bis(bromomethyl)cyclohexane

Structural Information

Molecular Formula
C8H14Br2
SMILES
C1CC(CCC1CBr)CBr
InChI
InChI=1S/C8H14Br2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6H2
InChIKey
MYALOPJJAPLQSJ-UHFFFAOYSA-N
Compound name
1,4-bis(bromomethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

267.94623 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.953506 141.6
[M+Na]+ 290.935448 150.4
[M-H]- 266.938954 147.7
[M+NH4]+ 285.980053 161.7
[M+K]+ 306.909388 135.4
[M+H-H2O]+ 250.943490 150.1
[M+HCOO]- 312.944431 155.1
[M+CH3COO]- 326.960081 199.5
[M+Na-2H]- 288.920896 147.5
[M]+ 267.94568142 172.1
[M]- 267.94677858 172.1
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