CID 2452109

5-chloro-2-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]aniline

Structural Information

Molecular Formula
C9H9ClN4S
SMILES
CN1C=NN=C1SC2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C9H9ClN4S/c1-14-5-12-13-9(14)15-8-3-2-6(10)4-7(8)11/h2-5H,11H2,1H3
InChIKey
ORIABKKRMMFJMW-UHFFFAOYSA-N
Compound name
5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

240.02365 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.03093 149.9
[M+Na]+ 263.01287 163.9
[M+NH4]+ 258.05747 158.4
[M+K]+ 278.98681 156.6
[M-H]- 239.01637 153.1
[M+Na-2H]- 260.99832 157.1
[M]+ 240.02310 153.5
[M]- 240.02420 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.