CID 81222714

4-(bromomethyl)-3-fluorobenzamide

Structural Information

Molecular Formula
C8H7BrFNO
SMILES
C1=CC(=C(C=C1C(=O)N)F)CBr
InChI
InChI=1S/C8H7BrFNO/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-3H,4H2,(H2,11,12)
InChIKey
XCVZLKJBFRDHMR-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-3-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

230.9695 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.97678 140.4
[M+Na]+ 253.95872 152.1
[M-H]- 229.96222 145.2
[M+NH4]+ 249.00332 161.5
[M+K]+ 269.93266 140.5
[M+H-H2O]+ 213.96676 139.2
[M+HCOO]- 275.96770 161.3
[M+CH3COO]- 289.98335 189.5
[M+Na-2H]- 251.94417 145.8
[M]+ 230.96895 156.3
[M]- 230.97005 156.3
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

patents stripe