CID 24698105

3-(aminomethyl)-n-(2,2,2-trifluoroethyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C9H11F3N2O2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NCC(F)(F)F)CN
InChI
InChI=1S/C9H11F3N2O2S/c10-9(11,12)6-14-17(15,16)8-3-1-2-7(4-8)5-13/h1-4,14H,5-6,13H2
InChIKey
RISKWTRJFKAPLS-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

268.04935 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05663 151.7
[M+Na]+ 291.03857 159.4
[M-H]- 267.04207 150.9
[M+NH4]+ 286.08317 167.6
[M+K]+ 307.01251 155.1
[M+H-H2O]+ 251.04661 142.9
[M+HCOO]- 313.04755 166.6
[M+CH3COO]- 327.06320 196.2
[M+Na-2H]- 289.02402 155.7
[M]+ 268.04880 148.2
[M]- 268.04990 148.2
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

patents stripe