CID 14965137

3-(bromomethyl)-3-fluoropentane

Structural Information

Molecular Formula
C6H12BrF
SMILES
CCC(CC)(CBr)F
InChI
InChI=1S/C6H12BrF/c1-3-6(8,4-2)5-7/h3-5H2,1-2H3
InChIKey
VWQNOECMOSQJIY-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-fluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.01064 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.01792 134.4
[M+Na]+ 204.99986 145.7
[M-H]- 181.00336 136.4
[M+NH4]+ 200.04446 158.1
[M+K]+ 220.97380 135.6
[M+H-H2O]+ 165.00790 135.1
[M+HCOO]- 227.00884 153.2
[M+CH3COO]- 241.02449 181.2
[M+Na-2H]- 202.98531 142.3
[M]+ 182.01009 152.3
[M]- 182.01119 152.3
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.