CID 137951496

7-bromo-2,2-difluorocycloheptan-1-one

Structural Information

Molecular Formula
C7H9BrF2O
SMILES
C1CCC(C(=O)C(C1)Br)(F)F
InChI
InChI=1S/C7H9BrF2O/c8-5-3-1-2-4-7(9,10)6(5)11/h5H,1-4H2
InChIKey
ZYHCUKSJEUOVTH-UHFFFAOYSA-N
Compound name
7-bromo-2,2-difluorocycloheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.98048 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98776 130.2
[M+Na]+ 248.96970 139.5
[M-H]- 224.97320 135.0
[M+NH4]+ 244.01430 152.3
[M+K]+ 264.94364 133.1
[M+H-H2O]+ 208.97774 130.7
[M+HCOO]- 270.97868 146.6
[M+CH3COO]- 284.99433 187.0
[M+Na-2H]- 246.95515 136.1
[M]+ 225.97993 139.7
[M]- 225.98103 139.7
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

No patent data available for this compound.