CID 46495153

Dimethyl 2-(perfluoropropyl)-p-benzenedicarbamate

Structural Information

Molecular Formula
C13H11F7N2O4
SMILES
COC(=O)NC1=CC(=C(C=C1)NC(=O)OC)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H11F7N2O4/c1-25-9(23)21-6-3-4-8(22-10(24)26-2)7(5-6)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3,(H,21,23)(H,22,24)
InChIKey
SQOWQAGMMNBLLE-UHFFFAOYSA-N
Compound name
methyl N-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(methoxycarbonylamino)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.0607 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.06798 187.9
[M+Na]+ 415.04992 188.9
[M+NH4]+ 410.09452 186.9
[M+K]+ 431.02386 187.3
[M-H]- 391.05342 179.5
[M+Na-2H]- 413.03537 185.7
[M]+ 392.06015 185.0
[M]- 392.06125 185.0
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.