CID 9570056

Nsc636797

Structural Information

Molecular Formula
C13H11Br2N3O3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N/N=C(\N)/OC2=C(C=C(C=C2)Br)Br
InChI
InChI=1S/C13H11Br2N3O3S/c14-9-6-7-12(11(15)8-9)21-13(16)17-18-22(19,20)10-4-2-1-3-5-10/h1-8,18H,(H2,16,17)
InChIKey
GBJOSNYSRHFVLB-UHFFFAOYSA-N
Compound name
(2,4-dibromophenyl) N'-(benzenesulfonamido)carbamimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.8888 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.89608 159.5
[M+Na]+ 469.87802 168.1
[M-H]- 445.88152 168.5
[M+NH4]+ 464.92262 173.1
[M+K]+ 485.85196 151.0
[M+H-H2O]+ 429.88606 164.0
[M+HCOO]- 491.88700 173.4
[M+CH3COO]- 505.90265 225.8
[M+Na-2H]- 467.86347 166.0
[M]+ 446.88825 193.6
[M]- 446.88935 193.6
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.