CID 24699686

2-amino-n-{2-[(difluoromethyl)sulfanyl]phenyl}acetamide hydrochloride

Structural Information

Molecular Formula
C9H10F2N2OS
SMILES
C1=CC=C(C(=C1)NC(=O)CN)SC(F)F
InChI
InChI=1S/C9H10F2N2OS/c10-9(11)15-7-4-2-1-3-6(7)13-8(14)5-12/h1-4,9H,5,12H2,(H,13,14)
InChIKey
ARMQGFUXCCJQQD-UHFFFAOYSA-N
Compound name
2-amino-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.04819 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05547 145.6
[M+Na]+ 255.03741 152.0
[M-H]- 231.04091 146.0
[M+NH4]+ 250.08201 162.9
[M+K]+ 271.01135 148.3
[M+H-H2O]+ 215.04545 137.1
[M+HCOO]- 277.04639 162.3
[M+CH3COO]- 291.06204 193.0
[M+Na-2H]- 253.02286 146.2
[M]+ 232.04764 142.6
[M]- 232.04874 142.6
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

No patent data available for this compound.