CID 87186075

Dtxsid60896385

Structural Information

Molecular Formula
C10H5ClF9NO
SMILES
C1=C(C=C(C(=C1OC(F)F)N)Cl)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10H5ClF9NO/c11-4-1-3(2-5(6(4)21)22-7(12)13)8(14,9(15,16)17)10(18,19)20/h1-2,7H,21H2
InChIKey
RHQBQSSQBXDLAT-UHFFFAOYSA-N
Compound name
2-chloro-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

360.9916 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.99888 164.3
[M+Na]+ 383.98082 175.5
[M-H]- 359.98432 157.1
[M+NH4]+ 379.02542 177.5
[M+K]+ 399.95476 169.6
[M+H-H2O]+ 343.98886 152.7
[M+HCOO]- 405.98980 169.4
[M+CH3COO]- 420.00545 214.2
[M+Na-2H]- 381.96627 164.8
[M]+ 360.99105 153.7
[M]- 360.99215 153.7
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