CID 3006817

(2,3,4,5,6-pentachlorophenyl) n-[4-(1-piperidylsulfonyl)phenyl]carbamate

Structural Information

Molecular Formula
C18H15Cl5N2O4S
SMILES
C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl5N2O4S/c19-12-13(20)15(22)17(16(23)14(12)21)29-18(26)24-10-4-6-11(7-5-10)30(27,28)25-8-2-1-3-9-25/h4-7H,1-3,8-9H2,(H,24,26)
InChIKey
DJVFVPVVXHUOLX-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentachlorophenyl) N-(4-piperidin-1-ylsulfonylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

529.9195 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.92678 204.8
[M+Na]+ 552.90872 211.4
[M-H]- 528.91222 208.3
[M+NH4]+ 547.95332 211.0
[M+K]+ 568.88266 207.0
[M+H-H2O]+ 512.91676 199.6
[M+HCOO]- 574.91770 193.6
[M+CH3COO]- 588.93335 235.6
[M+Na-2H]- 550.89417 200.7
[M]+ 529.91895 206.9
[M]- 529.92005 206.9
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

No patent data available for this compound.