CID 56587765

11-chloroperfluoroundecanoic acid

Structural Information

Molecular Formula
C11HClF20O2
SMILES
C(=O)(C(C(C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C11HClF20O2/c12-11(31,32)10(29,30)9(27,28)8(25,26)7(23,24)6(21,22)5(19,20)4(17,18)3(15,16)2(13,14)1(33)34/h(H,33,34)
InChIKey
ACWJDDIKDCUGLO-UHFFFAOYSA-N
Compound name
11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

579.9346 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.94188 173.9
[M+Na]+ 602.92382 178.6
[M-H]- 578.92732 184.7
[M+NH4]+ 597.96842 185.1
[M+K]+ 618.89776 189.8
[M+H-H2O]+ 562.93186 161.9
[M+HCOO]- 624.93280 191.8
[M+CH3COO]- 638.94845 245.4
[M+Na-2H]- 600.90927 174.6
[M]+ 579.93405 174.6
[M]- 579.93515 174.6
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