CID 120236

1-bromo-5-fluoropentane

Structural Information

Molecular Formula
C5H10BrF
SMILES
C(CCF)CCBr
InChI
InChI=1S/C5H10BrF/c6-4-2-1-3-5-7/h1-5H2
InChIKey
GMYIZICPHREVDH-UHFFFAOYSA-N
Compound name
1-bromo-5-fluoropentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

110
Patents

167.995 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.00228 128.7
[M+Na]+ 190.98422 139.9
[M-H]- 166.98772 130.6
[M+NH4]+ 186.02882 152.8
[M+K]+ 206.95816 129.8
[M+H-H2O]+ 150.99226 129.0
[M+HCOO]- 212.99320 149.3
[M+CH3COO]- 227.00885 178.1
[M+Na-2H]- 188.96967 136.8
[M]+ 167.99445 146.8
[M]- 167.99555 146.8
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