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]+ 240.03568 150.3
[M+Na]+ 262.01762 164.4
[M+NH4]+ 257.06222 159.5
[M+K]+ 277.99156 156.5
[M-H]- 238.02112 154.3
[M+Na-2H]- 260.00307 157.8
[M]+ 239.02785 154.2
[M]- 239.02895 154.2
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