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

literature stripe

Patent stripe

patents stripe