CID 5818585

Nsc647549

Structural Information

Molecular Formula
C14H14Cl2N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C\2/C3CC(C2=O)C(C3Cl)Cl
InChI
InChI=1S/C14H14Cl2N2O3S/c1-7-2-4-8(5-3-7)22(20,21)18-17-13-9-6-10(14(13)19)12(16)11(9)15/h2-5,9-12,18H,6H2,1H3/b17-13-
InChIKey
GKIQJJBVTYVJOI-LGMDPLHJSA-N
Compound name
N-[(Z)-(5,6-dichloro-3-oxo-2-bicyclo[2.2.1]heptanylidene)amino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.01022 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.01750 185.6
[M+Na]+ 382.99944 196.1
[M-H]- 359.00294 193.5
[M+NH4]+ 378.04404 206.0
[M+K]+ 398.97338 190.0
[M+H-H2O]+ 343.00748 182.7
[M+HCOO]- 405.00842 195.1
[M+CH3COO]- 419.02407 214.4
[M+Na-2H]- 380.98489 185.4
[M]+ 360.00967 191.9
[M]- 360.01077 191.9
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.