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 154.5
[M+Na]+ 297.96444 163.8
[M-H]- 273.96794 157.8
[M+NH4]+ 293.00904 171.5
[M+K]+ 313.93838 155.4
[M+H-H2O]+ 257.97248 155.5
[M+HCOO]- 319.97342 170.1
[M+CH3COO]- 333.98907 189.0
[M+Na-2H]- 295.94989 158.4
[M]+ 274.97467 158.6
[M]- 274.97577 158.6
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.