CID 5904290

Nsc643772

Structural Information

Molecular Formula
C16H10FNO
SMILES
C1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CC=C2F)/C#N
InChI
InChI=1S/C16H10FNO/c17-15-9-5-4-8-13(15)10-14(11-18)16(19)12-6-2-1-3-7-12/h1-10H/b14-10+
InChIKey
ACSMMSVGMDRPLV-GXDHUFHOSA-N
Compound name
(E)-2-benzoyl-3-(2-fluorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.07465 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08193 161.0
[M+Na]+ 274.06387 170.3
[M-H]- 250.06737 164.8
[M+NH4]+ 269.10847 175.6
[M+K]+ 290.03781 163.6
[M+H-H2O]+ 234.07191 146.2
[M+HCOO]- 296.07285 178.6
[M+CH3COO]- 310.08850 205.3
[M+Na-2H]- 272.04932 163.3
[M]+ 251.07410 153.5
[M]- 251.07520 153.5
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.