CID 245065

404-02-4

Structural Information

Molecular Formula
C14H10F6N2O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C14H10F6N2O2S/c15-13(16,17)8-5-9(14(18,19)20)7-11(6-8)22-25(23,24)12-3-1-10(21)2-4-12/h1-7,22H,21H2
InChIKey
QSCNYGSDOCABMA-UHFFFAOYSA-N
Compound name
4-amino-N-[3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

384.0367 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.04398 177.2
[M+Na]+ 407.02592 186.4
[M-H]- 383.02942 176.0
[M+NH4]+ 402.07052 188.3
[M+K]+ 422.99986 179.8
[M+H-H2O]+ 367.03396 164.8
[M+HCOO]- 429.03490 187.1
[M+CH3COO]- 443.05055 217.7
[M+Na-2H]- 405.01137 179.7
[M]+ 384.03615 169.7
[M]- 384.03725 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe