CID 2775810

4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl acrylate

Structural Information

Molecular Formula
C10H9F9O3
SMILES
C=CC(=O)OCC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C10H9F9O3/c1-2-6(21)22-4-5(20)3-7(11,12)8(13,14)9(15,16)10(17,18)19/h2,5,20H,1,3-4H2
InChIKey
MMZXPRQMECEMRJ-UHFFFAOYSA-N
Compound name
(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

227
Patents

348.0408 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.04808 164.5
[M+Na]+ 371.03002 171.9
[M-H]- 347.03352 152.4
[M+NH4]+ 366.07462 157.2
[M+K]+ 387.00396 169.2
[M+H-H2O]+ 331.03806 153.6
[M+HCOO]- 393.03900 169.0
[M+CH3COO]- 407.05465 208.4
[M+Na-2H]- 369.01547 165.5
[M]+ 348.04025 152.3
[M]- 348.04135 152.3
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