CID 18541880

2-methyl-4-(heptafluoropropan-2-yl)-nitrobenzene

Structural Information

Molecular Formula
C10H6F7NO2
SMILES
CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)[N+](=O)[O-]
InChI
InChI=1S/C10H6F7NO2/c1-5-4-6(2-3-7(5)18(19)20)8(11,9(12,13)14)10(15,16)17/h2-4H,1H3
InChIKey
FHPZIZFWTWOOQW-UHFFFAOYSA-N
Compound name
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

305.0287 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.03598 167.5
[M+Na]+ 328.01792 171.6
[M+NH4]+ 323.06252 168.6
[M+K]+ 343.99186 170.2
[M-H]- 304.02142 161.0
[M+Na-2H]- 326.00337 167.5
[M]+ 305.02815 165.8
[M]- 305.02925 165.8
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