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

380
Patents

568.0143 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.021576 180.5
[M+Na]+ 591.003518 186.2
[M-H]- 567.007024 189.5
[M+NH4]+ 586.048123 192.4
[M+K]+ 606.977458 196.3
[M+H-H2O]+ 551.011560 169.6
[M+HCOO]- 613.012501 199.2
[M+CH3COO]- 627.028151 246.7
[M+Na-2H]- 588.988966 180.0
[M]+ 568.01375142 179.1
[M]- 568.01484858 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