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 163.0
[M+Na]+ 397.87237 175.4
[M-H]- 373.87587 166.0
[M+NH4]+ 392.91697 179.4
[M+K]+ 413.84631 160.4
[M+H-H2O]+ 357.88041 165.6
[M+HCOO]- 419.88135 166.2
[M+CH3COO]- 433.89700 206.1
[M+Na-2H]- 395.85782 165.8
[M]+ 374.88260 182.5
[M]- 374.88370 182.5
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

No patent data available for this compound.