CID 139596971

Mhpflca n=8

Structural Information

Molecular Formula
C18H18F18O2
SMILES
C(C(F)F)C(CC(CC(CC(CC(CC(CC(CC(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H18F18O2/c19-9(20)1-11(21,22)2-12(23,24)3-13(25,26)4-14(27,28)5-15(29,30)6-16(31,32)7-17(33,34)8-18(35,36)10(37)38/h9H,1-8H2,(H,37,38)
InChIKey
RQOPDGZXDCPYQP-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-octadecafluorooctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

608.1019 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.10918 193.4
[M+Na]+ 631.09112 197.8
[M-H]- 607.09462 199.6
[M+NH4]+ 626.13572 203.3
[M+K]+ 647.06506 209.0
[M+H-H2O]+ 591.09916 182.5
[M+HCOO]- 653.10010 206.4
[M+CH3COO]- 667.11575 254.6
[M+Na-2H]- 629.07657 190.0
[M]+ 608.10135 190.2
[M]- 608.10245 190.2
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

No patent data available for this compound.