CID 3726937

5-chloro-2-[(4-fluorophenyl)sulfanyl]aniline

Structural Information

Molecular Formula
C12H9ClFNS
SMILES
C1=CC(=CC=C1F)SC2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C12H9ClFNS/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7H,15H2
InChIKey
CRZYJKQLOBCQQV-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-fluorophenyl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01283 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.02011 149.1
[M+Na]+ 276.00205 159.7
[M-H]- 252.00555 154.8
[M+NH4]+ 271.04665 167.6
[M+K]+ 291.97599 152.6
[M+H-H2O]+ 236.01009 142.5
[M+HCOO]- 298.01103 163.8
[M+CH3COO]- 312.02668 162.0
[M+Na-2H]- 273.98750 151.5
[M]+ 253.01228 150.3
[M]- 253.01338 150.3
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.