CID 171338326

1-(bromomethyl)-1-fluorocycloheptane

Structural Information

Molecular Formula
C8H14BrF
SMILES
C1CCCC(CC1)(CBr)F
InChI
InChI=1S/C8H14BrF/c9-7-8(10)5-3-1-2-4-6-8/h1-7H2
InChIKey
BYSYIIDDBDIUOY-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-fluorocycloheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.02629 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03357 133.5
[M+Na]+ 231.01551 140.5
[M-H]- 207.01901 138.6
[M+NH4]+ 226.06011 155.8
[M+K]+ 246.98945 134.1
[M+H-H2O]+ 191.02355 134.4
[M+HCOO]- 253.02449 150.1
[M+CH3COO]- 267.04014 184.5
[M+Na-2H]- 229.00096 140.3
[M]+ 208.02574 143.0
[M]- 208.02684 143.0
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.