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 149.5
[M+Na]+ 262.01762 161.0
[M-H]- 238.02112 154.3
[M+NH4]+ 257.06222 167.9
[M+K]+ 277.99156 155.0
[M+H-H2O]+ 222.02566 142.7
[M+HCOO]- 284.02660 164.0
[M+CH3COO]- 298.04225 162.6
[M+Na-2H]- 260.00307 150.6
[M]+ 239.02785 152.6
[M]- 239.02895 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