CID 2404865

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

Structural Information

Molecular Formula
C9H8ClF2NOS
SMILES
C1=CC(=CC=C1NC(=O)CCl)SC(F)F
InChI
InChI=1S/C9H8ClF2NOS/c10-5-8(14)13-6-1-3-7(4-2-6)15-9(11)12/h1-4,9H,5H2,(H,13,14)
InChIKey
OMMVKJHVXUMRML-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.99832 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00560 145.9
[M+Na]+ 273.98754 153.9
[M-H]- 249.99104 147.0
[M+NH4]+ 269.03214 164.1
[M+K]+ 289.96148 148.9
[M+H-H2O]+ 233.99558 139.0
[M+HCOO]- 295.99652 157.8
[M+CH3COO]- 310.01217 192.4
[M+Na-2H]- 271.97299 146.8
[M]+ 250.99777 146.8
[M]- 250.99887 146.8
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.