CID 16908

1-fluorobutane

Structural Information

Molecular Formula
C4H9F
SMILES
CCCCF
InChI
InChI=1S/C4H9F/c1-2-3-4-5/h2-4H2,1H3
InChIKey
FCBJLBCGHCTPAQ-UHFFFAOYSA-N
Compound name
1-fluorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

13415
Patents

76.068825 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.076101 111.3
[M+Na]+ 99.058043 119.4
[M-H]- 75.061549 110.7
[M+NH4]+ 94.102648 135.8
[M+K]+ 115.03198 119.6
[M+H-H2O]+ 59.066085 106.7
[M+HCOO]- 121.06703 134.8
[M+CH3COO]- 135.08268 164.1
[M+Na-2H]- 97.043491 119.2
[M]+ 76.068276 110.7
[M]- 76.069374 110.7
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