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

9
Patents

125.045235 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.052511 120.1
[M+Na]+ 148.034453 128.0
[M-H]- 124.037959 116.4
[M+NH4]+ 143.079058 141.8
[M+K]+ 164.008393 126.9
[M+H-H2O]+ 108.042495 113.7
[M+HCOO]- 170.043436 139.4
[M+CH3COO]- 184.059086 173.0
[M+Na-2H]- 146.019901 125.0
[M]+ 125.04468642 113.1
[M]- 125.04578358 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