CID 2321958

2-cyano-n-{4-[(difluoromethyl)sulfanyl]phenyl}acetamide

Structural Information

Molecular Formula
C10H8F2N2OS
SMILES
C1=CC(=CC=C1NC(=O)CC#N)SC(F)F
InChI
InChI=1S/C10H8F2N2OS/c11-10(12)16-8-3-1-7(2-4-8)14-9(15)5-6-13/h1-4,10H,5H2,(H,14,15)
InChIKey
LPJHGYHDEVGPTG-UHFFFAOYSA-N
Compound name
2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03255 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03983 151.4
[M+Na]+ 265.02177 160.2
[M-H]- 241.02527 152.5
[M+NH4]+ 260.06637 167.1
[M+K]+ 280.99571 156.8
[M+H-H2O]+ 225.02981 137.0
[M+HCOO]- 287.03075 164.4
[M+CH3COO]- 301.04640 203.9
[M+Na-2H]- 263.00722 152.0
[M]+ 242.03200 145.5
[M]- 242.03310 145.5
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.