CID 65214

56046-85-6

Structural Information

Molecular Formula
C19H11Cl2O4S
SMILES
C1=CC=C(C(=C1)C2=C3C=CC(=CC3=[O+]C4=C2C=CC(=C4)Cl)Cl)S(=O)(=O)O
InChI
InChI=1S/C19H10Cl2O4S/c20-11-5-7-13-16(9-11)25-17-10-12(21)6-8-14(17)19(13)15-3-1-2-4-18(15)26(22,23)24/h1-10H/p+1
InChIKey
QIWIPKRMEQMLMX-UHFFFAOYSA-O
Compound name
2-(3,6-dichloroxanthen-10-ium-9-yl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

404.97552 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.98280 186.4
[M+Na]+ 427.96474 198.9
[M-H]- 403.96824 195.2
[M+NH4]+ 423.00934 199.2
[M+K]+ 443.93868 187.8
[M+H-H2O]+ 387.97278 183.2
[M+HCOO]- 449.97372 192.3
[M+CH3COO]- 463.98937 208.0
[M+Na-2H]- 425.95019 195.5
[M]+ 404.97497 195.2
[M]- 404.97607 195.2
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