CID 3032744

Carbanilic acid, 4-bromo-3-methyldithio-, ethyl ester

Structural Information

Molecular Formula
C10H12BrNS2
SMILES
CCSC(=S)NC1=CC(=C(C=C1)Br)C
InChI
InChI=1S/C10H12BrNS2/c1-3-14-10(13)12-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKey
RWASHBQKLDRVPY-UHFFFAOYSA-N
Compound name
ethyl N-(4-bromo-3-methylphenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.95944 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.96672 137.7
[M+Na]+ 311.94866 149.7
[M-H]- 287.95216 144.1
[M+NH4]+ 306.99326 158.2
[M+K]+ 327.92260 135.3
[M+H-H2O]+ 271.95670 137.6
[M+HCOO]- 333.95764 149.2
[M+CH3COO]- 347.97329 198.0
[M+Na-2H]- 309.93411 140.9
[M]+ 288.95889 157.7
[M]- 288.95999 157.7
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.