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 152.2
[M+Na]+ 278.97878 165.7
[M+NH4]+ 274.02338 162.4
[M+K]+ 294.95272 155.8
[M-H]- 254.98228 157.2
[M+Na-2H]- 276.96423 159.1
[M]+ 255.98901 156.9
[M]- 255.99011 156.9
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.