CID 3032416

Benzamide, 2,6-dichloro-n-(hydroxymethyl)thio-

Structural Information

Molecular Formula
C8H7Cl2NOS
SMILES
C1=CC(=C(C(=C1)Cl)C(=S)NCO)Cl
InChI
InChI=1S/C8H7Cl2NOS/c9-5-2-1-3-6(10)7(5)8(13)11-4-12/h1-3,12H,4H2,(H,11,13)
InChIKey
XRONASRTKCDKMP-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-(hydroxymethyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

234.96254 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.96982 143.1
[M+Na]+ 257.95176 152.4
[M-H]- 233.95526 145.6
[M+NH4]+ 252.99636 162.1
[M+K]+ 273.92570 146.0
[M+H-H2O]+ 217.95980 140.0
[M+HCOO]- 279.96074 151.9
[M+CH3COO]- 293.97639 186.5
[M+Na-2H]- 255.93721 144.9
[M]+ 234.96199 145.8
[M]- 234.96309 145.8
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

patents stripe