CID 28401591

3-chloro-4-[(4-methoxyphenyl)sulfanyl]aniline

Structural Information

Molecular Formula
C13H12ClNOS
SMILES
COC1=CC=C(C=C1)SC2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C13H12ClNOS/c1-16-10-3-5-11(6-4-10)17-13-7-2-9(15)8-12(13)14/h2-8H,15H2,1H3
InChIKey
CZKIDNZYRALHKV-UHFFFAOYSA-N
Compound name
3-chloro-4-(4-methoxyphenyl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0328 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04008 155.1
[M+Na]+ 288.02202 165.0
[M-H]- 264.02552 162.1
[M+NH4]+ 283.06662 173.1
[M+K]+ 303.99596 158.8
[M+H-H2O]+ 248.03006 149.1
[M+HCOO]- 310.03100 170.7
[M+CH3COO]- 324.04665 196.1
[M+Na-2H]- 286.00747 157.6
[M]+ 265.03225 159.1
[M]- 265.03335 159.1
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.