CID 464791

1h-indole, 1-((2-chloro-5-nitrophenyl)sulfonyl)-

Structural Information

Molecular Formula
C14H9ClN2O4S
SMILES
C1=CC=C2C(=C1)C=CN2S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H9ClN2O4S/c15-12-6-5-11(17(18)19)9-14(12)22(20,21)16-8-7-10-3-1-2-4-13(10)16/h1-9H
InChIKey
NZHLRWLURWLIGN-UHFFFAOYSA-N
Compound name
1-(2-chloro-5-nitrophenyl)sulfonylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

335.99716 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.00444 173.1
[M+Na]+ 358.98638 183.5
[M-H]- 334.98988 180.8
[M+NH4]+ 354.03098 188.6
[M+K]+ 374.96032 173.8
[M+H-H2O]+ 318.99442 171.3
[M+HCOO]- 380.99536 188.4
[M+CH3COO]- 395.01101 196.9
[M+Na-2H]- 356.97183 180.1
[M]+ 335.99661 178.2
[M]- 335.99771 178.2
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.