CID 146082387

78376-91-7

Structural Information

Molecular Formula
C6H6F3N
SMILES
C1[C@H]([C@@H]1C(F)(F)F)CC#N
InChI
InChI=1S/C6H6F3N/c7-6(8,9)5-3-4(5)1-2-10/h4-5H,1,3H2/t4-,5-/m1/s1
InChIKey
KRCNVFVUTFEFAH-RFZPGFLSSA-N
Compound name
2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.04523 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05251 137.6
[M+Na]+ 172.03445 146.4
[M+NH4]+ 167.07905 140.9
[M+K]+ 188.00839 139.9
[M-H]- 148.03795 133.1
[M+Na-2H]- 170.01990 140.3
[M]+ 149.04468 137.4
[M]- 149.04578 137.4
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.