CID 178200085

1-bromo-2-fluoro-3-methoxypropane

Structural Information

Molecular Formula
C4H8BrFO
SMILES
COCC(CBr)F
InChI
InChI=1S/C4H8BrFO/c1-7-3-4(6)2-5/h4H,2-3H2,1H3
InChIKey
ZIUYKMBIYOOUNF-UHFFFAOYSA-N
Compound name
1-bromo-2-fluoro-3-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.97426 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.98154 127.7
[M+Na]+ 192.96348 139.0
[M-H]- 168.96698 129.7
[M+NH4]+ 188.00808 151.6
[M+K]+ 208.93742 129.9
[M+H-H2O]+ 152.97152 127.9
[M+HCOO]- 214.97246 147.8
[M+CH3COO]- 228.98811 177.7
[M+Na-2H]- 190.94893 134.9
[M]+ 169.97371 146.1
[M]- 169.97481 146.1
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

No patent data available for this compound.