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]+ 150.052506 116.2
[M+Na]+ 172.034448 131.8
[M-H]- 148.037954 119.4
[M+NH4]+ 167.079053 132.9
[M+K]+ 188.008388 127.0
[M+H-H2O]+ 132.042490 105.2
[M+HCOO]- 194.043431 134.7
[M+CH3COO]- 208.059081 191.7
[M+Na-2H]- 170.019896 124.2
[M]+ 149.04468142 112.0
[M]- 149.04577858 112.0
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.