CID 6434845

Usaf pd-80

Structural Information

Molecular Formula
C15H13ClN2O4S
SMILES
C1=CC(=CC=C1NC(=O)/C=C\C2=CC=C(O2)[N+](=O)[O-])SCCCl
InChI
InChI=1S/C15H13ClN2O4S/c16-9-10-23-13-5-1-11(2-6-13)17-14(19)7-3-12-4-8-15(22-12)18(20)21/h1-8H,9-10H2,(H,17,19)/b7-3-
InChIKey
UXBARCIIFXYTQO-CLTKARDFSA-N
Compound name
(Z)-N-[4-(2-chloroethylsulfanyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.02844 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.03572 177.5
[M+Na]+ 375.01766 189.3
[M+NH4]+ 370.06226 184.4
[M+K]+ 390.99160 185.0
[M-H]- 351.02116 182.9
[M+Na-2H]- 373.00311 182.5
[M]+ 352.02789 181.2
[M]- 352.02899 181.2
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.