CID 15239145

110003-21-9

Structural Information

Molecular Formula
C4H6F3N
SMILES
C(CN)C(=C(F)F)F
InChI
InChI=1S/C4H6F3N/c5-3(1-2-8)4(6)7/h1-2,8H2
InChIKey
FBQVCTPRADXZRW-UHFFFAOYSA-N
Compound name
3,4,4-trifluorobut-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

125.045235 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05251 121.0
[M+Na]+ 148.03445 128.1
[M-H]- 124.03796 117.0
[M+NH4]+ 143.07906 142.4
[M+K]+ 164.00839 127.1
[M+H-H2O]+ 108.04250 113.9
[M+HCOO]- 170.04344 140.8
[M+CH3COO]- 184.05909 173.6
[M+Na-2H]- 146.01990 123.9
[M]+ 125.04469 113.8
[M]- 125.04578 113.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe