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

26
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 166.6
[M+Na]+ 348.97869 172.8
[M-H]- 324.98219 170.8
[M+NH4]+ 344.02329 181.5
[M+K]+ 364.95263 164.7
[M+H-H2O]+ 308.98673 166.5
[M+HCOO]- 370.98767 177.5
[M+CH3COO]- 385.00332 199.4
[M+Na-2H]- 346.96414 171.2
[M]+ 325.98892 171.8
[M]- 325.99002 171.8
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