CID 67211

129-41-9

Structural Information

Molecular Formula
C17H13Cl2NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2C(=CC(=C3O)Cl)Cl
InChI
InChI=1S/C17H13Cl2NO3S/c1-10-5-7-11(8-6-10)24(22,23)20-15-4-2-3-12-16(15)13(18)9-14(19)17(12)21/h2-9,20-21H,1H3
InChIKey
VIWFMROFBWHDBY-UHFFFAOYSA-N
Compound name
N-(6,8-dichloro-5-hydroxynaphthalen-1-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

380.99933 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.00661 180.3
[M+Na]+ 403.98855 191.6
[M-H]- 379.99205 187.2
[M+NH4]+ 399.03315 194.8
[M+K]+ 419.96249 184.0
[M+H-H2O]+ 363.99659 175.4
[M+HCOO]- 425.99753 187.8
[M+CH3COO]- 440.01318 213.8
[M+Na-2H]- 401.97400 184.2
[M]+ 380.99878 187.1
[M]- 380.99988 187.1
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