CID 138395043

(perfluoropropyl)chloromethyl-2,4-difluorophenylmethanol

Structural Information

Molecular Formula
C11H6ClF9O
SMILES
C1=CC(=C(C=C1F)F)C(CCl)(C(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C11H6ClF9O/c12-4-8(22,6-2-1-5(13)3-7(6)14)9(15,16)10(17,18)11(19,20)21/h1-3,22H,4H2
InChIKey
KXUZRJPEPYHDCB-UHFFFAOYSA-N
Compound name
1-chloro-2-(2,4-difluorophenyl)-3,3,4,4,5,5,5-heptafluoropentan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

359.99634 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.00362 164.8
[M+Na]+ 382.98556 175.6
[M-H]- 358.98906 156.7
[M+NH4]+ 378.03016 177.7
[M+K]+ 398.95950 169.1
[M+H-H2O]+ 342.99360 153.6
[M+HCOO]- 404.99454 167.1
[M+CH3COO]- 419.01019 209.8
[M+Na-2H]- 380.97101 167.9
[M]+ 359.99579 154.0
[M]- 359.99689 154.0
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

No patent data available for this compound.