CID 69971943

(3-trifluoromethanesulfonylphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H8F3NO2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)C(F)(F)F)CN
InChI
InChI=1S/C8H8F3NO2S/c9-8(10,11)15(13,14)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
InChIKey
YQPOVRLFYHVUFY-UHFFFAOYSA-N
Compound name
[3-(trifluoromethylsulfonyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

239.02278 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03006 151.5
[M+Na]+ 262.01200 158.7
[M+NH4]+ 257.05660 156.3
[M+K]+ 277.98594 153.3
[M-H]- 238.01550 147.7
[M+Na-2H]- 259.99745 154.4
[M]+ 239.02223 151.5
[M]- 239.02333 151.5
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