CID 2736634

1550-24-9

Structural Information

Molecular Formula
C7HClF12O2
SMILES
C(=O)(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7HClF12O2/c8-7(19,20)6(17,18)5(15,16)4(13,14)3(11,12)2(9,10)1(21)22/h(H,21,22)
InChIKey
WMFYUMIVMKSLSX-UHFFFAOYSA-N
Compound name
7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

379.94736 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.95464 159.5
[M+Na]+ 402.93658 169.4
[M-H]- 378.94008 145.8
[M+NH4]+ 397.98118 170.6
[M+K]+ 418.91052 165.0
[M+H-H2O]+ 362.94462 148.3
[M+HCOO]- 424.94556 155.7
[M+CH3COO]- 438.96121 213.0
[M+Na-2H]- 400.92203 163.5
[M]+ 379.94681 142.7
[M]- 379.94791 142.7
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