CID 15077495

5-chloro-2-[(1-methyl-1h-imidazol-2-yl)sulfanyl]aniline

Structural Information

Molecular Formula
C10H10ClN3S
SMILES
CN1C=CN=C1SC2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C10H10ClN3S/c1-14-5-4-13-10(14)15-9-3-2-7(11)6-8(9)12/h2-6H,12H2,1H3
InChIKey
WTYXISQJDIFDBJ-UHFFFAOYSA-N
Compound name
5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.0284 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.035676 149.5
[M+Na]+ 262.017618 161.0
[M-H]- 238.021124 154.3
[M+NH4]+ 257.062223 167.9
[M+K]+ 277.991558 155.0
[M+H-H2O]+ 222.025660 142.7
[M+HCOO]- 284.026601 164.0
[M+CH3COO]- 298.042251 162.6
[M+Na-2H]- 260.003066 150.6
[M]+ 239.02785142 152.6
[M]- 239.02894858 152.6
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