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]+ 303.036296 157.2
[M+Na]+ 325.018238 169.3
[M-H]- 301.021744 149.0
[M+NH4]+ 320.062843 171.3
[M+K]+ 340.992178 162.6
[M+H-H2O]+ 285.026280 146.2
[M+HCOO]- 347.027221 165.8
[M+CH3COO]- 361.042871 195.1
[M+Na-2H]- 323.003686 162.5
[M]+ 302.02847142 147.0
[M]- 302.02956858 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