CID 62085093

(2-chloro-5-nitrophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H5Cl2NO4S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])CS(=O)(=O)Cl)Cl
InChI
InChI=1S/C7H5Cl2NO4S/c8-7-2-1-6(10(11)12)3-5(7)4-15(9,13)14/h1-3H,4H2
InChIKey
UZOYWZKZKRKZEU-UHFFFAOYSA-N
Compound name
(2-chloro-5-nitrophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.93164 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.938916 148.9
[M+Na]+ 291.920858 158.1
[M-H]- 267.924364 152.8
[M+NH4]+ 286.965463 166.2
[M+K]+ 307.894798 149.5
[M+H-H2O]+ 251.928900 150.2
[M+HCOO]- 313.929841 159.3
[M+CH3COO]- 327.945491 183.7
[M+Na-2H]- 289.906306 154.4
[M]+ 268.93109142 152.9
[M]- 268.93218858 152.9
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.