CID 383580

Nsc671998

Structural Information

Molecular Formula
C14H17F6N3O4S
SMILES
CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C14H17F6N3O4S/c1-2-3-8-27-11(24)23-12(13(15,16)17,14(18,19)20)22-9-4-6-10(7-5-9)28(21,25)26/h4-7,22H,2-3,8H2,1H3,(H,23,24)(H2,21,25,26)
InChIKey
IPFXEXVXQZROPJ-UHFFFAOYSA-N
Compound name
butyl N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.08438 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.09166 187.6
[M+Na]+ 460.07360 192.4
[M-H]- 436.07710 182.1
[M+NH4]+ 455.11820 195.7
[M+K]+ 476.04754 188.5
[M+H-H2O]+ 420.08164 175.5
[M+HCOO]- 482.08258 195.2
[M+CH3COO]- 496.09823 227.9
[M+Na-2H]- 458.05905 190.8
[M]+ 437.08383 181.2
[M]- 437.08493 181.2
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.