CID 5010528

36176-90-6

Structural Information

Molecular Formula
C14H12BrNO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=CC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H12BrNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3
InChIKey
PQUIUBJMRRZMDV-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

336.9772 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.98448 158.2
[M+Na]+ 359.96642 170.7
[M-H]- 335.96992 169.2
[M+NH4]+ 355.01102 176.8
[M+K]+ 375.94036 157.8
[M+H-H2O]+ 319.97446 157.2
[M+HCOO]- 381.97540 177.1
[M+CH3COO]- 395.99105 205.7
[M+Na-2H]- 357.95187 165.2
[M]+ 336.97665 180.0
[M]- 336.97775 180.0
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.