CID 40488768

5-bromo-n-(4-chloro-2-methoxy-5-methylphenyl)-2-fluorobenzamide

Structural Information

Molecular Formula
C15H12BrClFNO2
SMILES
CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C15H12BrClFNO2/c1-8-5-13(14(21-2)7-11(8)17)19-15(20)10-6-9(16)3-4-12(10)18/h3-7H,1-2H3,(H,19,20)
InChIKey
JVYUWUIQQKUOMQ-UHFFFAOYSA-N
Compound name
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.9724 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.97968 172.6
[M+Na]+ 393.96162 185.9
[M-H]- 369.96512 181.1
[M+NH4]+ 389.00622 189.9
[M+K]+ 409.93556 172.0
[M+H-H2O]+ 353.96966 170.9
[M+HCOO]- 415.97060 189.1
[M+CH3COO]- 429.98625 213.8
[M+Na-2H]- 391.94707 175.5
[M]+ 370.97185 194.1
[M]- 370.97295 194.1
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.