CID 28401697

3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline

Structural Information

Molecular Formula
C10H9ClN2S2
SMILES
CC1=CSC(=N1)SC2=C(C=CC=C2Cl)N
InChI
InChI=1S/C10H9ClN2S2/c1-6-5-14-10(13-6)15-9-7(11)3-2-4-8(9)12/h2-5H,12H2,1H3
InChIKey
MBFYVGNSRILWAL-UHFFFAOYSA-N
Compound name
3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.98956 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99684 150.4
[M+Na]+ 278.97878 162.1
[M-H]- 254.98228 156.4
[M+NH4]+ 274.02338 169.7
[M+K]+ 294.95272 155.0
[M+H-H2O]+ 238.98682 145.2
[M+HCOO]- 300.98776 160.7
[M+CH3COO]- 315.00341 163.4
[M+Na-2H]- 276.96423 149.6
[M]+ 255.98901 154.0
[M]- 255.99011 154.0
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.