CID 2492454

5-chloro-2-[(2,4-dimethylphenyl)sulfanyl]aniline

Structural Information

Molecular Formula
C14H14ClNS
SMILES
CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)Cl)N)C
InChI
InChI=1S/C14H14ClNS/c1-9-3-5-13(10(2)7-9)17-14-6-4-11(15)8-12(14)16/h3-8H,16H2,1-2H3
InChIKey
UBVXYMCCJBSXIT-UHFFFAOYSA-N
Compound name
5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.05356 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06084 157.8
[M+Na]+ 286.04278 174.0
[M+NH4]+ 281.08738 168.4
[M+K]+ 302.01672 162.6
[M-H]- 262.04628 164.4
[M+Na-2H]- 284.02823 167.1
[M]+ 263.05301 163.1
[M]- 263.05411 163.1
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.