CID 3045089

Brn 3014142

Structural Information

Molecular Formula
C18H19Cl2FN2O3S
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)F)N(CCCl)CCCl
InChI
InChI=1S/C18H19Cl2FN2O3S/c1-13-2-3-14(12-17(13)23(10-8-19)11-9-20)18(24)22-15-4-6-16(7-5-15)27(21,25)26/h2-7,12H,8-11H2,1H3,(H,22,24)
InChIKey
ZBMZCRASFSQWEQ-UHFFFAOYSA-N
Compound name
4-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.04776 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.05504 194.9
[M+Na]+ 455.03698 206.0
[M+NH4]+ 450.08158 200.7
[M+K]+ 471.01092 197.3
[M-H]- 431.04048 196.8
[M+Na-2H]- 453.02243 200.9
[M]+ 432.04721 197.8
[M]- 432.04831 197.8
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

No patent data available for this compound.