CID 6433436

63917-06-6

Structural Information

Molecular Formula
C8H10Cl2O4
SMILES
C(CCl)OC(=O)/C=C\C(=O)OCCCl
InChI
InChI=1S/C8H10Cl2O4/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h1-2H,3-6H2/b2-1-
InChIKey
NUZFFMJRNXNVCA-UPHRSURJSA-N
Compound name
bis(2-chloroethyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

239.99562 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.002896 145.2
[M+Na]+ 262.984838 153.4
[M-H]- 238.988344 145.0
[M+NH4]+ 258.029443 164.2
[M+K]+ 278.958778 149.8
[M+H-H2O]+ 222.992880 142.3
[M+HCOO]- 284.993821 158.7
[M+CH3COO]- 299.009471 186.6
[M+Na-2H]- 260.970286 148.1
[M]+ 239.99507142 152.2
[M]- 239.99616858 152.2
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

patents stripe