CID 84653289

1-bromo-3-fluoro-3-methylbutane

Structural Information

Molecular Formula
C5H10BrF
SMILES
CC(C)(CCBr)F
InChI
InChI=1S/C5H10BrF/c1-5(2,7)3-4-6/h3-4H2,1-2H3
InChIKey
JSWSQYDSEJVBBZ-UHFFFAOYSA-N
Compound name
1-bromo-3-fluoro-3-methylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.995 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.00228 129.6
[M+Na]+ 190.98422 141.3
[M-H]- 166.98772 131.9
[M+NH4]+ 186.02882 153.9
[M+K]+ 206.95816 131.5
[M+H-H2O]+ 150.99226 130.5
[M+HCOO]- 212.99320 148.8
[M+CH3COO]- 227.00885 178.4
[M+Na-2H]- 188.96967 138.1
[M]+ 167.99445 147.2
[M]- 167.99555 147.2
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.