CID 2594451

2-chloro-5-(methylsulfanyl)benzamide

Structural Information

Molecular Formula
C8H8ClNOS
SMILES
CSC1=CC(=C(C=C1)Cl)C(=O)N
InChI
InChI=1S/C8H8ClNOS/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKey
NLPPJZYFXDIBNY-UHFFFAOYSA-N
Compound name
2-chloro-5-methylsulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

201.00151 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.00879 137.9
[M+Na]+ 223.99073 147.4
[M-H]- 199.99423 141.8
[M+NH4]+ 219.03533 158.3
[M+K]+ 239.96467 142.7
[M+H-H2O]+ 183.99877 133.5
[M+HCOO]- 245.99971 152.6
[M+CH3COO]- 260.01536 184.3
[M+Na-2H]- 221.97618 139.7
[M]+ 201.00096 140.6
[M]- 201.00206 140.6
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