CID 9760

1-fluorohexane

Structural Information

Molecular Formula
C6H13F
SMILES
CCCCCCF
InChI
InChI=1S/C6H13F/c1-2-3-4-5-6-7/h2-6H2,1H3
InChIKey
OFERIJCSHDJMSA-UHFFFAOYSA-N
Compound name
1-fluorohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

6256
Patents

104.10013 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.10741 120.8
[M+Na]+ 127.08935 128.0
[M-H]- 103.09285 119.7
[M+NH4]+ 122.13395 144.1
[M+K]+ 143.06329 127.6
[M+H-H2O]+ 87.097390 115.7
[M+HCOO]- 149.09833 143.5
[M+CH3COO]- 163.11398 170.2
[M+Na-2H]- 125.07480 127.5
[M]+ 104.09958 120.9
[M]- 104.10068 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe