CID 72552

Benzamide, 2,2'-dithiobis-

Structural Information

Molecular Formula
C14H12N2O2S2
SMILES
C1=CC=C(C(=C1)C(=O)N)SSC2=CC=CC=C2C(=O)N
InChI
InChI=1S/C14H12N2O2S2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
InChIKey
OEEHSSKRJOGQMP-UHFFFAOYSA-N
Compound name
2-[(2-carbamoylphenyl)disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

308
Patents

304.03403 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04131 165.3
[M+Na]+ 327.02325 171.7
[M-H]- 303.02675 170.3
[M+NH4]+ 322.06785 179.2
[M+K]+ 342.99719 164.9
[M+H-H2O]+ 287.03129 157.6
[M+HCOO]- 349.03223 177.9
[M+CH3COO]- 363.04788 205.4
[M+Na-2H]- 325.00870 164.7
[M]+ 304.03348 164.8
[M]- 304.03458 164.8
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