CID 3017478

64018-26-4

Structural Information

Molecular Formula
C12H2ClF21O
SMILES
C(C(=O)Cl)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H2ClF21O/c13-2(35)1-3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)34/h1H2
InChIKey
DYTUUAFTUFQJQV-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

595.94586 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.95314 179.7
[M+Na]+ 618.93508 185.3
[M-H]- 594.93858 189.9
[M+NH4]+ 613.97968 191.9
[M+K]+ 634.90902 196.9
[M+H-H2O]+ 578.94312 168.7
[M+HCOO]- 640.94406 198.3
[M+CH3COO]- 654.95971 249.7
[M+Na-2H]- 616.92053 180.9
[M]+ 595.94531 180.4
[M]- 595.94641 180.4
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