CID 24212577

5-bromo-2-fluoro-n-isopropylbenzamide

Structural Information

Molecular Formula
C10H11BrFNO
SMILES
CC(C)NC(=O)C1=C(C=CC(=C1)Br)F
InChI
InChI=1S/C10H11BrFNO/c1-6(2)13-10(14)8-5-7(11)3-4-9(8)12/h3-6H,1-2H3,(H,13,14)
InChIKey
FHAJFNAHKVSINF-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0008 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.00808 149.4
[M+Na]+ 281.99002 160.1
[M-H]- 257.99352 154.6
[M+NH4]+ 277.03462 169.7
[M+K]+ 297.96396 148.9
[M+H-H2O]+ 241.99806 148.0
[M+HCOO]- 303.99900 169.3
[M+CH3COO]- 318.01465 196.0
[M+Na-2H]- 279.97547 153.6
[M]+ 259.00025 166.3
[M]- 259.00135 166.3
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.