CID 11427383

455890-94-5

Structural Information

Molecular Formula
C10H12Cl2N2O4S
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C10H12Cl2N2O4S/c11-5-7-13(8-6-12)19(17,18)10-4-2-1-3-9(10)14(15)16/h1-4H,5-8H2
InChIKey
FMPWFHQUILGARU-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

325.98947 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.99675 165.5
[M+Na]+ 348.97869 177.2
[M+NH4]+ 344.02329 172.5
[M+K]+ 364.95263 172.0
[M-H]- 324.98219 167.5
[M+Na-2H]- 346.96414 170.5
[M]+ 325.98892 168.5
[M]- 325.99002 168.5
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

patents stripe