CID 40520

Flamprop-isopropyl

Structural Information

Molecular Formula
C19H19ClFNO3
SMILES
CC(C)OC(=O)C(C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKey
IKVXBIIHQGXQRQ-UHFFFAOYSA-N
Compound name
propan-2-yl 2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

6796
Patents

363.10376 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11104 181.7
[M+Na]+ 386.09298 187.6
[M-H]- 362.09648 188.2
[M+NH4]+ 381.13758 195.1
[M+K]+ 402.06692 184.4
[M+H-H2O]+ 346.10102 173.4
[M+HCOO]- 408.10196 197.6
[M+CH3COO]- 422.11761 220.5
[M+Na-2H]- 384.07843 179.8
[M]+ 363.10321 185.8
[M]- 363.10431 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe