CID 2736215

1-bromo-2-(bromodifluoromethyl)cyclohexane

Structural Information

Molecular Formula
C7H10Br2F2
SMILES
C1CCC(C(C1)C(F)(F)Br)Br
InChI
InChI=1S/C7H10Br2F2/c8-6-4-2-1-3-5(6)7(9,10)11/h5-6H,1-4H2
InChIKey
MWCUYVZBWZWWKO-UHFFFAOYSA-N
Compound name
1-bromo-2-[bromo(difluoro)methyl]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.91174 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.91902 149.6
[M+Na]+ 312.90096 159.0
[M-H]- 288.90446 153.8
[M+NH4]+ 307.94556 168.9
[M+K]+ 328.87490 143.6
[M+H-H2O]+ 272.90900 157.0
[M+HCOO]- 334.90994 160.4
[M+CH3COO]- 348.92559 201.6
[M+Na-2H]- 310.88641 154.6
[M]+ 289.91119 177.4
[M]- 289.91229 177.4
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.