CID 2780883

2728-59-8

Structural Information

Molecular Formula
C10H8BrClF3NO
SMILES
C1=CC(=C(C=C1C(F)(F)F)NC(=O)CCBr)Cl
InChI
InChI=1S/C10H8BrClF3NO/c11-4-3-9(17)16-8-5-6(10(13,14)15)1-2-7(8)12/h1-2,5H,3-4H2,(H,16,17)
InChIKey
OASPNOKQXOSUJR-UHFFFAOYSA-N
Compound name
3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.95028 161.8
[M+Na]+ 351.93222 174.3
[M-H]- 327.93572 164.4
[M+NH4]+ 346.97682 180.4
[M+K]+ 367.90616 160.1
[M+H-H2O]+ 311.94026 159.7
[M+HCOO]- 373.94120 174.9
[M+CH3COO]- 387.95685 203.5
[M+Na-2H]- 349.91767 166.1
[M]+ 328.94245 178.4
[M]- 328.94355 178.4
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.