CID 587460

4-methylbenzenesulfinamide

Structural Information

Molecular Formula
C7H9NOS
SMILES
CC1=CC=C(C=C1)S(=O)N
InChI
InChI=1S/C7H9NOS/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,8H2,1H3
InChIKey
YNJDSRPIGAUCEE-UHFFFAOYSA-N
Compound name
4-methylbenzenesulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

454
Patents

155.04048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 128.5
[M+Na]+ 178.02970 136.9
[M-H]- 154.03320 132.3
[M+NH4]+ 173.07430 149.7
[M+K]+ 194.00364 134.3
[M+H-H2O]+ 138.03774 123.0
[M+HCOO]- 200.03868 148.0
[M+CH3COO]- 214.05433 176.4
[M+Na-2H]- 176.01515 131.8
[M]+ 155.03993 128.5
[M]- 155.04103 128.5
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