CID 54071960

1-methyl-2-(nonafluorobutyl)benzene

Structural Information

Molecular Formula
C11H7F9
SMILES
CC1=CC=CC=C1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H7F9/c1-6-4-2-3-5-7(6)8(12,13)9(14,15)10(16,17)11(18,19)20/h2-5H,1H3
InChIKey
MHBROBOETRABQY-UHFFFAOYSA-N
Compound name
1-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

310.0404 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.04768 158.8
[M+Na]+ 333.02962 168.5
[M-H]- 309.03312 151.7
[M+NH4]+ 328.07422 173.2
[M+K]+ 349.00356 164.2
[M+H-H2O]+ 293.03766 146.7
[M+HCOO]- 355.03860 166.5
[M+CH3COO]- 369.05425 205.8
[M+Na-2H]- 331.01507 162.7
[M]+ 310.03985 145.7
[M]- 310.04095 145.7
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