CID 88945159

(2r)-1,1,1-trifluorobut-3-en-2-amine hydrochloride

Structural Information

Molecular Formula
C4H6F3N
SMILES
C=C[C@H](C(F)(F)F)N
InChI
InChI=1S/C4H6F3N/c1-2-3(8)4(5,6)7/h2-3H,1,8H2/t3-/m1/s1
InChIKey
ZJWJXQCEGDDRLX-GSVOUGTGSA-N
Compound name
(2R)-1,1,1-trifluorobut-3-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

125.045235 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05251 120.1
[M+Na]+ 148.03445 128.0
[M-H]- 124.03796 116.4
[M+NH4]+ 143.07906 141.8
[M+K]+ 164.00839 126.9
[M+H-H2O]+ 108.04250 113.7
[M+HCOO]- 170.04344 139.4
[M+CH3COO]- 184.05909 173.0
[M+Na-2H]- 146.01990 125.0
[M]+ 125.04469 113.1
[M]- 125.04578 113.1
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