CID 10019

3-fluoropropan-1-amine

Structural Information

Molecular Formula
C3H8FN
SMILES
C(CN)CF
InChI
InChI=1S/C3H8FN/c4-2-1-3-5/h1-3,5H2
InChIKey
YTHVGJSPULXGNY-UHFFFAOYSA-N
Compound name
3-fluoropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

952
Patents

77.06408 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 78.071356 111.6
[M+Na]+ 100.05330 119.2
[M-H]- 76.056804 110.4
[M+NH4]+ 95.097903 135.3
[M+K]+ 116.02724 119.0
[M+H-H2O]+ 60.061340 106.6
[M+HCOO]- 122.06228 135.7
[M+CH3COO]- 136.07793 164.9
[M+Na-2H]- 98.038746 118.9
[M]+ 77.063531 108.7
[M]- 77.064629 108.7
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