CID 10970

Succinyl chloride

Structural Information

Molecular Formula
C4H4Cl2O2
SMILES
C(CC(=O)Cl)C(=O)Cl
InChI
InChI=1S/C4H4Cl2O2/c5-3(7)1-2-4(6)8/h1-2H2
InChIKey
IRXBNHGNHKNOJI-UHFFFAOYSA-N
Compound name
butanedioyl dichloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

8097
Patents

153.95883 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.966106 122.8
[M+Na]+ 176.948048 132.1
[M-H]- 152.951554 123.0
[M+NH4]+ 171.992653 145.0
[M+K]+ 192.921988 129.1
[M+H-H2O]+ 136.956090 120.8
[M+HCOO]- 198.957031 136.7
[M+CH3COO]- 212.972681 173.8
[M+Na-2H]- 174.933496 127.6
[M]+ 153.95828142 126.2
[M]- 153.95937858 126.2
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