CID 14364413

1-bromo-3-fluoro-3-methylbutan-2-ol

Structural Information

Molecular Formula
C5H10BrFO
SMILES
CC(C)(C(CBr)O)F
InChI
InChI=1S/C5H10BrFO/c1-5(2,7)4(8)3-6/h4,8H,3H2,1-2H3
InChIKey
FMICFHWVIJKDJQ-UHFFFAOYSA-N
Compound name
1-bromo-3-fluoro-3-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.98991 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.99719 134.0
[M+Na]+ 206.97913 144.9
[M-H]- 182.98263 134.8
[M+NH4]+ 202.02373 156.8
[M+K]+ 222.95307 134.8
[M+H-H2O]+ 166.98717 134.7
[M+HCOO]- 228.98811 150.9
[M+CH3COO]- 243.00376 178.3
[M+Na-2H]- 204.96458 140.6
[M]+ 183.98936 150.4
[M]- 183.99046 150.4
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.