CID 6435528

(z)-2-butenedioic acid mono(2-(phenylsulfonyl)hydrazide)

Structural Information

Molecular Formula
C10H10N2O5S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NNC(=O)/C=C\C(=O)O
InChI
InChI=1S/C10H10N2O5S/c13-9(6-7-10(14)15)11-12-18(16,17)8-4-2-1-3-5-8/h1-7,12H,(H,11,13)(H,14,15)/b7-6-
InChIKey
BANOUGCIZLYORE-SREVYHEPSA-N
Compound name
(Z)-4-[2-(benzenesulfonyl)hydrazinyl]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.03104 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03832 156.1
[M+Na]+ 293.02026 161.3
[M-H]- 269.02376 157.9
[M+NH4]+ 288.06486 170.6
[M+K]+ 308.99420 158.0
[M+H-H2O]+ 253.02830 149.2
[M+HCOO]- 315.02924 173.7
[M+CH3COO]- 329.04489 192.7
[M+Na-2H]- 291.00571 159.9
[M]+ 270.03049 156.5
[M]- 270.03159 156.5
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.