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

45
Patents

125.045235 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.052511 121.0
[M+Na]+ 148.034453 128.1
[M-H]- 124.037959 117.0
[M+NH4]+ 143.079058 142.4
[M+K]+ 164.008393 127.1
[M+H-H2O]+ 108.042495 113.9
[M+HCOO]- 170.043436 140.8
[M+CH3COO]- 184.059086 173.6
[M+Na-2H]- 146.019901 123.9
[M]+ 125.04468642 113.8
[M]- 125.04578358 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