CID 84997

3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl acrylate

Structural Information

Molecular Formula
C14H7F19O2
SMILES
C=CC(=O)OCCC(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/C14H7F19O2/c1-2-5(34)35-4-3-6(15,16)8(18,19)10(22,23)12(26,27)11(24,25)9(20,21)7(17,13(28,29)30)14(31,32)33/h2H,1,3-4H2
InChIKey
QGIJZPXLSMRDCW-UHFFFAOYSA-N
Compound name
[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

472
Patents

568.0143 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.02158 180.5
[M+Na]+ 591.00352 186.2
[M-H]- 567.00702 189.5
[M+NH4]+ 586.04812 192.4
[M+K]+ 606.97746 196.3
[M+H-H2O]+ 551.01156 169.6
[M+HCOO]- 613.01250 199.2
[M+CH3COO]- 627.02815 246.7
[M+Na-2H]- 588.98897 180.0
[M]+ 568.01375 179.1
[M]- 568.01485 179.1
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