CID 20026177

124305-68-6

Structural Information

Molecular Formula
C11H8F3N
SMILES
C1CC1(C#N)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C11H8F3N/c12-11(13,14)9-3-1-2-8(6-9)10(7-15)4-5-10/h1-3,6H,4-5H2
InChIKey
CRIZCGCPHXFSCH-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

211.06088 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.06816 135.2
[M+Na]+ 234.05010 151.6
[M-H]- 210.05360 140.5
[M+NH4]+ 229.09470 151.2
[M+K]+ 250.02404 144.4
[M+H-H2O]+ 194.05814 124.0
[M+HCOO]- 256.05908 153.5
[M+CH3COO]- 270.07473 200.0
[M+Na-2H]- 232.03555 143.5
[M]+ 211.06033 130.7
[M]- 211.06143 130.7
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