CID 11052575

3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

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

18
Patents

197.04523 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.052506 137.7
[M+Na]+ 220.034448 148.3
[M-H]- 196.037954 137.5
[M+NH4]+ 215.079053 155.2
[M+K]+ 236.008388 144.0
[M+H-H2O]+ 180.042490 123.6
[M+HCOO]- 242.043431 154.3
[M+CH3COO]- 256.059081 195.2
[M+Na-2H]- 218.019896 143.1
[M]+ 197.04468142 128.7
[M]- 197.04577858 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