CID 464785

173908-24-2

Structural Information

Molecular Formula
C14H10N2O4S
SMILES
C1=CC=C2C(=C1)C=CN2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C14H10N2O4S/c17-16(18)13-7-3-4-8-14(13)21(19,20)15-10-9-11-5-1-2-6-12(11)15/h1-10H
InChIKey
HUQBHLJAJLUOMR-UHFFFAOYSA-N
Compound name
1-(2-nitrophenyl)sulfonylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

302.03613 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04341 165.3
[M+Na]+ 325.02535 174.7
[M-H]- 301.02885 173.0
[M+NH4]+ 320.06995 181.2
[M+K]+ 340.99929 166.1
[M+H-H2O]+ 285.03339 162.6
[M+HCOO]- 347.03433 185.4
[M+CH3COO]- 361.04998 192.1
[M+Na-2H]- 323.01080 173.6
[M]+ 302.03558 167.9
[M]- 302.03668 167.9
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.