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 156.0
[M+Na]+ 286.04278 166.5
[M-H]- 262.04628 163.1
[M+NH4]+ 281.08738 174.4
[M+K]+ 302.01672 159.5
[M+H-H2O]+ 246.05082 150.2
[M+HCOO]- 308.05176 171.0
[M+CH3COO]- 322.06741 168.9
[M+Na-2H]- 284.02823 157.2
[M]+ 263.05301 159.3
[M]- 263.05411 159.3
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.