CID 9998

1-fluoropropane

Structural Information

Molecular Formula
C3H7F
SMILES
CCCF
InChI
InChI=1S/C3H7F/c1-2-3-4/h2-3H2,1H3
InChIKey
JRHNUZCXXOTJCA-UHFFFAOYSA-N
Compound name
1-fluoropropane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

14
References

39251
Patents

62.053177 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 63.060453 106.6
[M+Na]+ 85.042395 115.1
[M-H]- 61.045901 106.1
[M+NH4]+ 80.087000 131.6
[M+K]+ 101.01634 115.6
[M+H-H2O]+ 45.050437 102.2
[M+HCOO]- 107.05138 130.3
[M+CH3COO]- 121.06703 161.1
[M+Na-2H]- 83.027843 115.0
[M]+ 62.052628 105.6
[M]- 62.053726 105.6
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