CID 58778100

1-(bromomethyl)-4-fluorocyclohexane

Structural Information

Molecular Formula
C7H12BrF
SMILES
C1CC(CCC1CBr)F
InChI
InChI=1S/C7H12BrF/c8-5-6-1-3-7(9)4-2-6/h6-7H,1-5H2
InChIKey
AEDCPJATJOCVQP-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-fluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

194.01064 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.01792 136.7
[M+Na]+ 216.99986 146.2
[M-H]- 193.00336 141.1
[M+NH4]+ 212.04446 159.7
[M+K]+ 232.97380 135.9
[M+H-H2O]+ 177.00790 136.7
[M+HCOO]- 239.00884 154.2
[M+CH3COO]- 253.02449 181.1
[M+Na-2H]- 214.98531 142.5
[M]+ 194.01009 149.6
[M]- 194.01119 149.6
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