CID 165753895

4-(3-bromopropyl)-1,1-difluorocyclohexane

Structural Information

Molecular Formula
C9H15BrF2
SMILES
C1CC(CCC1CCCBr)(F)F
InChI
InChI=1S/C9H15BrF2/c10-7-1-2-8-3-5-9(11,12)6-4-8/h8H,1-7H2
InChIKey
PQHHUEDWTPWNGO-UHFFFAOYSA-N
Compound name
4-(3-bromopropyl)-1,1-difluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.03252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.03980 148.0
[M+Na]+ 263.02174 157.5
[M-H]- 239.02524 151.1
[M+NH4]+ 258.06634 171.0
[M+K]+ 278.99568 146.6
[M+H-H2O]+ 223.02978 147.6
[M+HCOO]- 285.03072 163.9
[M+CH3COO]- 299.04637 188.9
[M+Na-2H]- 261.00719 153.1
[M]+ 240.03197 160.9
[M]- 240.03307 160.9
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

No patent data available for this compound.