CID 138396395

1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-nitrobenzene

Structural Information

Molecular Formula
C9F11NO2
SMILES
C1(=C(C(=C(C(=C1F)F)[N+](=O)[O-])F)F)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C9F11NO2/c10-2-1(7(14,8(15,16)17)9(18,19)20)3(11)5(13)6(4(2)12)21(22)23
InChIKey
AIMRZXIGISGIMY-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

362.97534 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.98262 159.4
[M+Na]+ 385.96456 172.0
[M-H]- 361.96806 151.3
[M+NH4]+ 381.00916 171.7
[M+K]+ 401.93850 163.5
[M+H-H2O]+ 345.97260 150.7
[M+HCOO]- 407.97354 168.6
[M+CH3COO]- 421.98919 210.1
[M+Na-2H]- 383.95001 162.6
[M]+ 362.97479 144.0
[M]- 362.97589 144.0
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.