CID 6435790

Monomethyl (e)-2-butenedioate 2-((4-bromophenyl)sulfonyl)hydrazide

Structural Information

Molecular Formula
C11H11BrN2O5S
SMILES
COC(=O)/C=C/C(=O)NNS(=O)(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C11H11BrN2O5S/c1-19-11(16)7-6-10(15)13-14-20(17,18)9-4-2-8(12)3-5-9/h2-7,14H,1H3,(H,13,15)/b7-6+
InChIKey
PVWAHHMKMMJUJU-VOTSOKGWSA-N
Compound name
methyl (E)-4-[2-(4-bromophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.9572 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.96448 160.2
[M+Na]+ 384.94642 169.3
[M-H]- 360.94992 165.9
[M+NH4]+ 379.99102 175.8
[M+K]+ 400.92036 157.0
[M+H-H2O]+ 344.95446 158.1
[M+HCOO]- 406.95540 176.6
[M+CH3COO]- 420.97105 207.3
[M+Na-2H]- 382.93187 165.2
[M]+ 361.95665 181.2
[M]- 361.95775 181.2
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.