CID 1121461

331461-62-2

Structural Information

Molecular Formula
C15H10ClFN2O3
SMILES
C1=CC(=CC=C1NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])F
InChI
InChI=1S/C15H10ClFN2O3/c16-13-7-1-10(9-14(13)19(21)22)2-8-15(20)18-12-5-3-11(17)4-6-12/h1-9H,(H,18,20)/b8-2+
InChIKey
YFMXXVZLCOYDJR-KRXBUXKQSA-N
Compound name
(E)-3-(4-chloro-3-nitrophenyl)-N-(4-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0364 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.04368 169.4
[M+Na]+ 343.02562 176.6
[M-H]- 319.02912 174.7
[M+NH4]+ 338.07022 183.2
[M+K]+ 358.99956 166.7
[M+H-H2O]+ 303.03366 166.1
[M+HCOO]- 365.03460 189.4
[M+CH3COO]- 379.05025 200.7
[M+Na-2H]- 341.01107 173.7
[M]+ 320.03585 168.6
[M]- 320.03695 168.6
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.