CID 2736272

4-bromo-4,4-difluorobutan-1-ol

Structural Information

Molecular Formula
C4H7BrF2O
SMILES
C(CC(F)(F)Br)CO
InChI
InChI=1S/C4H7BrF2O/c5-4(6,7)2-1-3-8/h8H,1-3H2
InChIKey
YMVXWKFHZLGKAX-UHFFFAOYSA-N
Compound name
4-bromo-4,4-difluorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

187.96483 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.97211 132.6
[M+Na]+ 210.95405 144.1
[M-H]- 186.95755 132.2
[M+NH4]+ 205.99865 155.2
[M+K]+ 226.92799 133.5
[M+H-H2O]+ 170.96209 132.6
[M+HCOO]- 232.96303 149.8
[M+CH3COO]- 246.97868 177.3
[M+Na-2H]- 208.93950 140.3
[M]+ 187.96428 148.1
[M]- 187.96538 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

No literature data available for this compound.

Patent stripe

patents stripe