CID 145867305

2375259-55-3

Structural Information

Molecular Formula
C8H3ClF5NO3
SMILES
C1=CC(=C(C=C1OC(C(F)(F)F)(F)F)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H3ClF5NO3/c9-5-2-1-4(3-6(5)15(16)17)18-8(13,14)7(10,11)12/h1-3H
InChIKey
RBQIGKDFXUUOJD-UHFFFAOYSA-N
Compound name
1-chloro-2-nitro-4-(1,1,2,2,2-pentafluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.97217 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.97945 147.2
[M+Na]+ 313.96139 157.3
[M-H]- 289.96489 145.1
[M+NH4]+ 309.00599 163.0
[M+K]+ 329.93533 149.5
[M+H-H2O]+ 273.96943 143.6
[M+HCOO]- 335.97037 160.7
[M+CH3COO]- 349.98602 191.7
[M+Na-2H]- 311.94684 154.7
[M]+ 290.97162 142.9
[M]- 290.97272 142.9
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.