CID 12619

1-fluoroheptane

Structural Information

Molecular Formula
C7H15F
SMILES
CCCCCCCF
InChI
InChI=1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey
BITLXSQYFZTQGC-UHFFFAOYSA-N
Compound name
1-fluoroheptane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2754
Patents

118.115776 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.12305 125.5
[M+Na]+ 141.10499 132.3
[M-H]- 117.10850 124.2
[M+NH4]+ 136.14960 148.3
[M+K]+ 157.07893 131.6
[M+H-H2O]+ 101.11304 120.2
[M+HCOO]- 163.11398 147.9
[M+CH3COO]- 177.12963 173.3
[M+Na-2H]- 139.09044 131.6
[M]+ 118.11523 126.0
[M]- 118.11632 126.0
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