CID 119097979

1-(bromomethyl)-1-fluorocyclopentane

Structural Information

Molecular Formula
C6H10BrF
SMILES
C1CCC(C1)(CBr)F
InChI
InChI=1S/C6H10BrF/c7-5-6(8)3-1-2-4-6/h1-5H2
InChIKey
ICNPULKZCRAYBB-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-fluorocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

179.995 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.00228 133.5
[M+Na]+ 202.98422 144.6
[M-H]- 178.98772 138.4
[M+NH4]+ 198.02882 160.5
[M+K]+ 218.95816 134.7
[M+H-H2O]+ 162.99226 134.6
[M+HCOO]- 224.99320 153.5
[M+CH3COO]- 239.00885 176.7
[M+Na-2H]- 200.96967 140.4
[M]+ 179.99445 148.1
[M]- 179.99555 148.1
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