CID 2776238

41925-33-1

Structural Information

Molecular Formula
C12H5F19O
SMILES
C1C(O1)CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H5F19O/c13-4(14,1-3-2-32-3)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h3H,1-2H2
InChIKey
ZFJPGQQBBNLQOX-UHFFFAOYSA-N
Compound name
2-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonyl]oxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

75
Patents

526.0037 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.01098 175.2
[M+Na]+ 548.99292 183.5
[M-H]- 524.99642 181.9
[M+NH4]+ 544.03752 185.6
[M+K]+ 564.96686 190.8
[M+H-H2O]+ 509.00096 162.0
[M+HCOO]- 571.00190 200.1
[M+CH3COO]- 585.01755 241.9
[M+Na-2H]- 546.97837 184.0
[M]+ 526.00315 180.4
[M]- 526.00425 180.4
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