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

7
Patents

239.99562 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00290 145.2
[M+Na]+ 262.98484 153.4
[M-H]- 238.98834 145.0
[M+NH4]+ 258.02944 164.2
[M+K]+ 278.95878 149.8
[M+H-H2O]+ 222.99288 142.3
[M+HCOO]- 284.99382 158.7
[M+CH3COO]- 299.00947 186.6
[M+Na-2H]- 260.97029 148.1
[M]+ 239.99507 152.2
[M]- 239.99617 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