CID 3080425

Brn 4332771

Structural Information

Molecular Formula
C17H15BrF2N2O3
SMILES
CC(C(=O)NNC(=O)C(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)O)Br
InChI
InChI=1S/C17H15BrF2N2O3/c1-10(18)15(23)21-22-16(24)17(25,11-2-6-13(19)7-3-11)12-4-8-14(20)9-5-12/h2-10,25H,1H3,(H,21,23)(H,22,24)
InChIKey
JHAGHEGHBXWLAE-UHFFFAOYSA-N
Compound name
N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-bromopropanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.0234 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.03068 187.6
[M+Na]+ 435.01262 194.8
[M-H]- 411.01612 192.3
[M+NH4]+ 430.05722 200.0
[M+K]+ 450.98656 182.4
[M+H-H2O]+ 395.02066 183.2
[M+HCOO]- 457.02160 203.0
[M+CH3COO]- 471.03725 219.8
[M+Na-2H]- 432.99807 189.4
[M]+ 412.02285 201.5
[M]- 412.02395 201.5
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.