CID 20266918

Phenylmethanesulfinamide

Structural Information

Molecular Formula
C7H9NOS
SMILES
C1=CC=C(C=C1)CS(=O)N
InChI
InChI=1S/C7H9NOS/c8-10(9)6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKey
UKDZTPQQLLBYRG-UHFFFAOYSA-N
Compound name
phenylmethanesulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

155.04048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.047756 128.9
[M+Na]+ 178.029698 136.5
[M-H]- 154.033204 132.4
[M+NH4]+ 173.074303 149.8
[M+K]+ 194.003638 133.9
[M+H-H2O]+ 138.037740 123.2
[M+HCOO]- 200.038681 148.5
[M+CH3COO]- 214.054331 175.3
[M+Na-2H]- 176.015146 132.9
[M]+ 155.03993142 128.6
[M]- 155.04102858 128.6
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

patents stripe