CID 83412631

1260786-06-8

Structural Information

Molecular Formula
C12H7F6N
SMILES
C1CC1(C#N)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C12H7F6N/c13-11(14,15)8-3-7(10(6-19)1-2-10)4-9(5-8)12(16,17)18/h3-5H,1-2H2
InChIKey
WVBDPPPZKBVVJS-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.04828 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05556 141.8
[M+Na]+ 302.03750 158.3
[M-H]- 278.04100 143.6
[M+NH4]+ 297.08210 155.3
[M+K]+ 318.01144 150.7
[M+H-H2O]+ 262.04554 128.6
[M+HCOO]- 324.04648 155.5
[M+CH3COO]- 338.06213 210.7
[M+Na-2H]- 300.02295 148.3
[M]+ 279.04773 134.0
[M]- 279.04883 134.0
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.