CID 148754

Peptide elongation factor 2

Structural Information

Molecular Formula
C11H6Cl4O2
SMILES
C1C2C=CC1C3(C2(C(=O)C(=C(Cl)Cl)C3=O)Cl)Cl
InChI
InChI=1S/C11H6Cl4O2/c12-9(13)6-7(16)10(14)4-1-2-5(3-4)11(10,15)8(6)17/h1-2,4-5H,3H2
InChIKey
RYXGAWJESREXQK-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(dichloromethylidene)tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

812
References

8
Patents

309.9122 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.91948 173.3
[M+Na]+ 332.90142 185.8
[M-H]- 308.90492 174.9
[M+NH4]+ 327.94602 199.6
[M+K]+ 348.87536 177.3
[M+H-H2O]+ 292.90946 173.1
[M+HCOO]- 354.91040 173.7
[M+CH3COO]- 368.92605 183.9
[M+Na-2H]- 330.88687 171.1
[M]+ 309.91165 174.6
[M]- 309.91275 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe