CID 138040027

1-bromo-2,2-difluoro-3-methoxypropane

Structural Information

Molecular Formula
C4H7BrF2O
SMILES
COCC(CBr)(F)F
InChI
InChI=1S/C4H7BrF2O/c1-8-3-4(6,7)2-5/h2-3H2,1H3
InChIKey
PKLLXFAFOCUCCR-UHFFFAOYSA-N
Compound name
1-bromo-2,2-difluoro-3-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.96483 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.97211 131.6
[M+Na]+ 210.95405 143.6
[M-H]- 186.95755 132.5
[M+NH4]+ 205.99865 154.9
[M+K]+ 226.92799 133.9
[M+H-H2O]+ 170.96209 131.4
[M+HCOO]- 232.96303 150.2
[M+CH3COO]- 246.97868 179.9
[M+Na-2H]- 208.93950 139.8
[M]+ 187.96428 148.9
[M]- 187.96538 148.9
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.