CID 475645

Chembl293538

Structural Information

Molecular Formula
C17H13Cl2NO3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C17H13Cl2NO3S/c18-13-6-7-15(16(19)10-13)17(21)12-8-9-20(11-12)24(22,23)14-4-2-1-3-5-14/h1-11,17,21H
InChIKey
MEHZGLFMVPOEDY-UHFFFAOYSA-N
Compound name
[1-(benzenesulfonyl)pyrrol-3-yl]-(2,4-dichlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.99933 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.00661 183.1
[M+Na]+ 403.98855 193.5
[M-H]- 379.99205 191.0
[M+NH4]+ 399.03315 196.7
[M+K]+ 419.96249 186.1
[M+H-H2O]+ 363.99659 176.9
[M+HCOO]- 425.99753 189.7
[M+CH3COO]- 440.01318 193.8
[M+Na-2H]- 401.97400 182.9
[M]+ 380.99878 188.9
[M]- 380.99988 188.9
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

No patent data available for this compound.