CID 93659

2,4-bis(methylsulphonyl)phenylhydrazine

Structural Information

Molecular Formula
C8H12N2O4S2
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)NN)S(=O)(=O)C
InChI
InChI=1S/C8H12N2O4S2/c1-15(11,12)6-3-4-7(10-9)8(5-6)16(2,13)14/h3-5,10H,9H2,1-2H3
InChIKey
PKDDCIXNDZLQGW-UHFFFAOYSA-N
Compound name
[2,4-bis(methylsulfonyl)phenyl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

264.02383 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.031106 154.5
[M+Na]+ 287.013048 162.7
[M-H]- 263.016554 157.4
[M+NH4]+ 282.057653 170.4
[M+K]+ 302.986988 157.7
[M+H-H2O]+ 247.021090 148.1
[M+HCOO]- 309.022031 167.5
[M+CH3COO]- 323.037681 194.3
[M+Na-2H]- 284.998496 158.5
[M]+ 264.02328142 156.3
[M]- 264.02437858 156.3
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.