CID 11075761

1-bromo-3,3-diethoxy-1,1-difluoropropane

Structural Information

Molecular Formula
C7H13BrF2O2
SMILES
CCOC(CC(F)(F)Br)OCC
InChI
InChI=1S/C7H13BrF2O2/c1-3-11-6(12-4-2)5-7(8,9)10/h6H,3-5H2,1-2H3
InChIKey
QAUOBMFAPLIVPF-UHFFFAOYSA-N
Compound name
1-bromo-3,3-diethoxy-1,1-difluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

246.0067 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01398 148.8
[M+Na]+ 268.99592 159.2
[M-H]- 244.99942 149.2
[M+NH4]+ 264.04052 169.8
[M+K]+ 284.96986 149.6
[M+H-H2O]+ 229.00396 147.7
[M+HCOO]- 291.00490 165.7
[M+CH3COO]- 305.02055 190.8
[M+Na-2H]- 266.98137 154.2
[M]+ 246.00615 167.9
[M]- 246.00725 167.9
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

patents stripe