CID 11286519

Benzenesulfinamide

Structural Information

Molecular Formula
C6H7NOS
SMILES
C1=CC=C(C=C1)S(=O)N
InChI
InChI=1S/C6H7NOS/c7-9(8)6-4-2-1-3-5-6/h1-5H,7H2
InChIKey
QJCPEOFEBREKQB-UHFFFAOYSA-N
Compound name
benzenesulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

802
Patents

141.02484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.032116 124.4
[M+Na]+ 164.014058 132.4
[M-H]- 140.017564 128.1
[M+NH4]+ 159.058663 145.9
[M+K]+ 179.987998 130.1
[M+H-H2O]+ 124.022100 118.9
[M+HCOO]- 186.023041 144.3
[M+CH3COO]- 200.038691 172.3
[M+Na-2H]- 161.999506 128.9
[M]+ 141.02429142 123.7
[M]- 141.02538858 123.7
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