CID 101545603

6-chloroperfluorohexylphosphonic acid

Structural Information

Molecular Formula
C6H2ClF12O3P
SMILES
C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(F)(F)P(=O)(O)O)(F)F)(F)F
InChI
InChI=1S/C6H2ClF12O3P/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)23(20,21)22/h(H2,20,21,22)
InChIKey
SSYJCIUXWUSGKG-UHFFFAOYSA-N
Compound name
(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

415.92386 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.93114 173.8
[M+Na]+ 438.91308 155.5
[M-H]- 414.91658 157.1
[M+NH4]+ 433.95768 157.0
[M+K]+ 454.88702 179.1
[M+H-H2O]+ 398.92112 160.9
[M+HCOO]- 460.92206 172.5
[M+CH3COO]- 474.93771 216.1
[M+Na-2H]- 436.89853 178.5
[M]+ 415.92331 150.7
[M]- 415.92441 150.7
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