CID 121553562

4-(bromomethyl)-4-fluorooxane

Structural Information

Molecular Formula
C6H10BrFO
SMILES
C1COCCC1(CBr)F
InChI
InChI=1S/C6H10BrFO/c7-5-6(8)1-3-9-4-2-6/h1-5H2
InChIKey
MFHKAOIGDZSSCS-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-fluorooxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

195.98991 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99719 134.0
[M+Na]+ 218.97913 143.8
[M-H]- 194.98263 139.2
[M+NH4]+ 214.02373 157.3
[M+K]+ 234.95307 135.5
[M+H-H2O]+ 178.98717 134.8
[M+HCOO]- 240.98811 151.3
[M+CH3COO]- 255.00376 178.5
[M+Na-2H]- 216.96458 143.1
[M]+ 195.98936 148.7
[M]- 195.99046 148.7
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