CID 28901531

(2s)-2-(trifluoromethyl)azetidine

Structural Information

Molecular Formula
C4H6F3N
SMILES
C1CN[C@@H]1C(F)(F)F
InChI
InChI=1S/C4H6F3N/c5-4(6,7)3-1-2-8-3/h3,8H,1-2H2/t3-/m0/s1
InChIKey
LIIQGGQFRCUFCZ-VKHMYHEASA-N
Compound name
(2S)-2-(trifluoromethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
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 120.7
[M+Na]+ 148.034453 127.5
[M-H]- 124.037959 117.9
[M+NH4]+ 143.079058 134.5
[M+K]+ 164.008393 128.8
[M+H-H2O]+ 108.042495 108.6
[M+HCOO]- 170.043436 136.1
[M+CH3COO]- 184.059086 170.8
[M+Na-2H]- 146.019901 126.8
[M]+ 125.04468642 121.5
[M]- 125.04578358 121.5
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