CID 2782569

Perfluoroheptanoyl chloride

Structural Information

Molecular Formula
C7ClF13O
SMILES
C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C7ClF13O/c8-1(22)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21
InChIKey
IAHVCTQMGIVZJU-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

155
Patents

381.943 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.95028 160.9
[M+Na]+ 404.93222 171.4
[M-H]- 380.93572 147.6
[M+NH4]+ 399.97682 172.6
[M+K]+ 420.90616 166.9
[M+H-H2O]+ 364.94026 148.6
[M+HCOO]- 426.94120 157.3
[M+CH3COO]- 440.95685 215.9
[M+Na-2H]- 402.91767 164.3
[M]+ 381.94245 143.0
[M]- 381.94355 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe