CID 114376503

(2,5-dibromophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H7Br2NO2S
SMILES
C1=CC(=C(C=C1Br)CS(=O)(=O)N)Br
InChI
InChI=1S/C7H7Br2NO2S/c8-6-1-2-7(9)5(3-6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKey
LZBCICAOQWTIMZ-UHFFFAOYSA-N
Compound name
(2,5-dibromophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.8564 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.86368 133.4
[M+Na]+ 349.84562 145.5
[M-H]- 325.84912 140.3
[M+NH4]+ 344.89022 151.9
[M+K]+ 365.81956 128.3
[M+H-H2O]+ 309.85366 141.0
[M+HCOO]- 371.85460 146.1
[M+CH3COO]- 385.87025 205.2
[M+Na-2H]- 347.83107 140.2
[M]+ 326.85585 168.1
[M]- 326.85695 168.1
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.