CID 89555621

Dtxsid80896382

Structural Information

Molecular Formula
C10H5F7N2O
SMILES
C1=CC2=C(C=C1C(C(F)(F)F)(C(F)(F)F)F)NC(=O)N2
InChI
InChI=1S/C10H5F7N2O/c11-8(9(12,13)14,10(15,16)17)4-1-2-5-6(3-4)19-7(20)18-5/h1-3H,(H2,18,19,20)
InChIKey
MIWXGZCQDQYIBN-UHFFFAOYSA-N
Compound name
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

302.02902 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03630 157.2
[M+Na]+ 325.01824 169.3
[M-H]- 301.02174 149.0
[M+NH4]+ 320.06284 171.3
[M+K]+ 340.99218 162.6
[M+H-H2O]+ 285.02628 146.2
[M+HCOO]- 347.02722 165.8
[M+CH3COO]- 361.04287 195.1
[M+Na-2H]- 323.00369 162.5
[M]+ 302.02847 147.0
[M]- 302.02957 147.0
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

patents stripe