CID 465626

5me-8-quinol-so2-(no2cl)ph

Structural Information

Molecular Formula
C16H15ClN2O4S
SMILES
CC1=C2CCCNC2=C(C=C1)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H15ClN2O4S/c1-10-4-6-15(16-12(10)3-2-8-18-16)24(22,23)14-7-5-11(17)9-13(14)19(20)21/h4-7,9,18H,2-3,8H2,1H3
InChIKey
VBLQKPIVCJSMOH-UHFFFAOYSA-N
Compound name
8-(4-chloro-2-nitrophenyl)sulfonyl-5-methyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0441 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.05138 178.1
[M+Na]+ 389.03332 184.8
[M-H]- 365.03682 182.8
[M+NH4]+ 384.07792 189.7
[M+K]+ 405.00726 174.3
[M+H-H2O]+ 349.04136 175.9
[M+HCOO]- 411.04230 186.3
[M+CH3COO]- 425.05795 202.8
[M+Na-2H]- 387.01877 183.6
[M]+ 366.04355 177.7
[M]- 366.04465 177.7
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.