CID 165801268

En300-37462536

Structural Information

Molecular Formula
C7H7F3
SMILES
C#C[C@@H]1CC[C@H]1C(F)(F)F
InChI
InChI=1S/C7H7F3/c1-2-5-3-4-6(5)7(8,9)10/h1,5-6H,3-4H2/t5-,6-/m1/s1
InChIKey
OFIYTCQYXUJSLW-PHDIDXHHSA-N
Compound name
(1R,2R)-1-ethynyl-2-(trifluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.04999 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05727 118.8
[M+Na]+ 171.03921 127.8
[M-H]- 147.04271 118.3
[M+NH4]+ 166.08381 132.4
[M+K]+ 187.01315 129.2
[M+H-H2O]+ 131.04725 102.8
[M+HCOO]- 193.04819 131.6
[M+CH3COO]- 207.06384 187.6
[M+Na-2H]- 169.02466 123.5
[M]+ 148.04944 116.6
[M]- 148.05054 116.6
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

No patent data available for this compound.