CID 9862220

2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline

Structural Information

Molecular Formula
C9H5Cl2F6NO
SMILES
C1=C(C(=CC(=C1Cl)OC(C(C(F)(F)F)F)(F)F)Cl)N
InChI
InChI=1S/C9H5Cl2F6NO/c10-3-2-6(4(11)1-5(3)18)19-9(16,17)7(12)8(13,14)15/h1-2,7H,18H2
InChIKey
PIANCHDAVNRLDV-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

44
Patents

326.96524 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.972516 155.2
[M+Na]+ 349.954458 166.5
[M-H]- 325.957964 151.0
[M+NH4]+ 344.999063 170.5
[M+K]+ 365.928398 160.0
[M+H-H2O]+ 309.962500 146.7
[M+HCOO]- 371.963441 160.6
[M+CH3COO]- 385.979091 206.9
[M+Na-2H]- 347.939906 156.5
[M]+ 326.96469142 150.4
[M]- 326.96578858 150.4
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