CID 229818

4-((4-chlorophenyl)sulfonyl)aniline

Structural Information

Molecular Formula
C12H10ClNO2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClNO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKey
RWIUBJDOESNTFZ-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

44
Patents

267.0121 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.01938 154.9
[M+Na]+ 290.00132 165.1
[M-H]- 266.00482 162.1
[M+NH4]+ 285.04592 172.5
[M+K]+ 305.97526 158.9
[M+H-H2O]+ 250.00936 149.3
[M+HCOO]- 312.01030 169.9
[M+CH3COO]- 326.02595 192.9
[M+Na-2H]- 287.98677 159.3
[M]+ 267.01155 157.7
[M]- 267.01265 157.7
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

patents stripe