CID 121208452

4-(2-bromoethyl)-1,1-difluorocyclohexane

Structural Information

Molecular Formula
C8H13BrF2
SMILES
C1CC(CCC1CCBr)(F)F
InChI
InChI=1S/C8H13BrF2/c9-6-3-7-1-4-8(10,11)5-2-7/h7H,1-6H2
InChIKey
QABKBGHWPXATLT-UHFFFAOYSA-N
Compound name
4-(2-bromoethyl)-1,1-difluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.01688 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02416 143.4
[M+Na]+ 249.00610 153.4
[M-H]- 225.00960 146.7
[M+NH4]+ 244.05070 167.0
[M+K]+ 264.98004 142.7
[M+H-H2O]+ 209.01414 143.2
[M+HCOO]- 271.01508 159.6
[M+CH3COO]- 285.03073 186.1
[M+Na-2H]- 246.99155 149.1
[M]+ 226.01633 155.9
[M]- 226.01743 155.9
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