CID 1486238

4-[(4-bromophenyl)sulfanyl]aniline hydrochloride

Structural Information

Molecular Formula
C12H10BrNS
SMILES
C1=CC(=CC=C1N)SC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H10BrNS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKey
QTWFAGQWNPNBFR-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

278.97174 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.97902 144.6
[M+Na]+ 301.96096 156.7
[M-H]- 277.96446 153.8
[M+NH4]+ 297.00556 164.7
[M+K]+ 317.93490 143.2
[M+H-H2O]+ 261.96900 144.2
[M+HCOO]- 323.96994 162.7
[M+CH3COO]- 337.98559 159.6
[M+Na-2H]- 299.94641 150.5
[M]+ 278.97119 163.1
[M]- 278.97229 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

patents stripe