CID 140195

1-bromo-2-fluorocyclohexane

Structural Information

Molecular Formula
C6H10BrF
SMILES
C1CCC(C(C1)F)Br
InChI
InChI=1S/C6H10BrF/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2
InChIKey
AZQRVGXSORXOCR-UHFFFAOYSA-N
Compound name
1-bromo-2-fluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

179.995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.00228 132.0
[M+Na]+ 202.98422 141.9
[M-H]- 178.98772 136.6
[M+NH4]+ 198.02882 155.5
[M+K]+ 218.95816 131.9
[M+H-H2O]+ 162.99226 132.3
[M+HCOO]- 224.99320 149.9
[M+CH3COO]- 239.00885 178.2
[M+Na-2H]- 200.96967 138.4
[M]+ 179.99445 144.6
[M]- 179.99555 144.6
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