CID 11052575

51791-29-8

Structural Information

Molecular Formula
C10H6F3N
SMILES
C1=CC(=CC=C1/C=C/C#N)C(F)(F)F
InChI
InChI=1S/C10H6F3N/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h1-6H/b2-1+
InChIKey
KOVQKDRPQUROPC-OWOJBTEDSA-N
Compound name
(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

197.04523 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05251 137.7
[M+Na]+ 220.03445 148.3
[M-H]- 196.03795 137.5
[M+NH4]+ 215.07905 155.2
[M+K]+ 236.00839 144.0
[M+H-H2O]+ 180.04249 123.6
[M+HCOO]- 242.04343 154.3
[M+CH3COO]- 256.05908 195.2
[M+Na-2H]- 218.01990 143.1
[M]+ 197.04468 128.7
[M]- 197.04578 128.7
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