CID 67236985

1,1-difluoro-4-(iodomethyl)cyclohexane

Structural Information

Molecular Formula
C7H11F2I
SMILES
C1CC(CCC1CI)(F)F
InChI
InChI=1S/C7H11F2I/c8-7(9)3-1-6(5-10)2-4-7/h6H,1-5H2
InChIKey
BZUZKVFPWWKTLD-UHFFFAOYSA-N
Compound name
1,1-difluoro-4-(iodomethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

259.98734 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.99462 134.2
[M+Na]+ 282.97656 134.0
[M-H]- 258.98006 128.0
[M+NH4]+ 278.02116 152.1
[M+K]+ 298.95050 138.3
[M+H-H2O]+ 242.98460 124.6
[M+HCOO]- 304.98554 147.9
[M+CH3COO]- 319.00119 184.4
[M+Na-2H]- 280.96201 127.5
[M]+ 259.98679 125.3
[M]- 259.98789 125.3
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