CID 42816

5-bromo-2-hydroxy-3-methyl-n-(2,2,2-trichloro-1-hydroxyethyl)benzamide

Structural Information

Molecular Formula
C10H9BrCl3NO3
SMILES
CC1=CC(=CC(=C1O)C(=O)NC(C(Cl)(Cl)Cl)O)Br
InChI
InChI=1S/C10H9BrCl3NO3/c1-4-2-5(11)3-6(7(4)16)8(17)15-9(18)10(12,13)14/h2-3,9,16,18H,1H3,(H,15,17)
InChIKey
LDOHVXBQOJWKSD-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-3-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.88315 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.89043 170.3
[M+Na]+ 397.87237 173.1
[M+NH4]+ 392.91697 173.4
[M+K]+ 413.84631 173.5
[M-H]- 373.87587 168.5
[M+Na-2H]- 395.85782 171.0
[M]+ 374.88260 169.7
[M]- 374.88370 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.