CID 216071

37049-79-9

Structural Information

Molecular Formula
C13H14N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H14N2O4S2/c1-11-7-9-13(10-8-11)21(18,19)15-14-20(16,17)12-5-3-2-4-6-12/h2-10,14-15H,1H3
InChIKey
XUZFNRWJIVNRGV-UHFFFAOYSA-N
Compound name
N'-(benzenesulfonyl)-4-methylbenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

326.0395 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.04678 171.2
[M+Na]+ 349.02872 178.3
[M-H]- 325.03222 177.2
[M+NH4]+ 344.07332 184.5
[M+K]+ 365.00266 172.3
[M+H-H2O]+ 309.03676 163.6
[M+HCOO]- 371.03770 185.3
[M+CH3COO]- 385.05335 204.4
[M+Na-2H]- 347.01417 177.7
[M]+ 326.03895 173.2
[M]- 326.04005 173.2
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

patents stripe