CID 6434869

Bayer 60564

Structural Information

Molecular Formula
C10H7Cl2NO4
SMILES
C/C=C/C(=O)OC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H7Cl2NO4/c1-2-3-9(14)17-10-7(11)4-6(13(15)16)5-8(10)12/h2-5H,1H3/b3-2+
InChIKey
OGBVVDUVBJFYNC-NSCUHMNNSA-N
Compound name
(2,6-dichloro-4-nitrophenyl) (E)-but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.97522 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.98250 152.3
[M+Na]+ 297.96444 166.8
[M+NH4]+ 293.00904 159.7
[M+K]+ 313.93838 162.6
[M-H]- 273.96794 154.3
[M+Na-2H]- 295.94989 157.5
[M]+ 274.97467 155.3
[M]- 274.97577 155.3
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.