CID 12651156

1,1-bis(bromomethyl)cyclopentane

Structural Information

Molecular Formula
C7H12Br2
SMILES
C1CCC(C1)(CBr)CBr
InChI
InChI=1S/C7H12Br2/c8-5-7(6-9)3-1-2-4-7/h1-6H2
InChIKey
IHACFZDNHHZUIN-UHFFFAOYSA-N
Compound name
1,1-bis(bromomethyl)cyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.93057 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.93785 141.3
[M+Na]+ 276.91979 151.6
[M-H]- 252.92329 147.9
[M+NH4]+ 271.96439 164.7
[M+K]+ 292.89373 137.0
[M+H-H2O]+ 236.92783 150.7
[M+HCOO]- 298.92877 156.9
[M+CH3COO]- 312.94442 196.0
[M+Na-2H]- 274.90524 147.9
[M]+ 253.93002 173.2
[M]- 253.93112 173.2
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

No patent data available for this compound.