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

53
Patents

155.04048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 128.9
[M+Na]+ 178.02970 136.5
[M-H]- 154.03320 132.4
[M+NH4]+ 173.07430 149.8
[M+K]+ 194.00364 133.9
[M+H-H2O]+ 138.03774 123.2
[M+HCOO]- 200.03868 148.5
[M+CH3COO]- 214.05433 175.3
[M+Na-2H]- 176.01515 132.9
[M]+ 155.03993 128.6
[M]- 155.04103 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